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Simvastatin - ≥97% (HPLC), high purity , HMG-CoA reductase inhibitor, CAS No.79902-63-9, HMG-CoA reductase inhibitor

9 Citations

Moligand™

≥97%(HPLC)

CAS#: 79902-63-9
Formula: C₂₅H₃₈O₅
Molecular Weight: 418.57
MDL number: MFCD00072007
PubChem CID: 54454

Item Number

S129538

Grouped product items
SKU	Size	Availability	Price
S129538-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$149.90
S129538-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$13.90
S129538-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$23.90
S129538-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
S129538-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$56.90
S129538-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$159.90

HMG-CoA reductase inhibitor

View related series

hydroxymethylglutaryl-CoA reductase Inhibitor

Basic Description

Synonyms	BRN 4768037 \| Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester \| MK 0733 \| SIMVASTATIN [MART.] \| Sinvascor \| L 644128-000U \| Zocord \| Sim
Specifications & Purity	Moligand™, ≥97%(HPLC)
Biochemical and Physiological Mechanisms	Simvastatin is an HMGCR (HMG-CoA reductase) inhibitor with anti-proliferative properties. This compound has been shown to modulate purified bovine pituitary 20 S proteasome via mild stimulation of chymotrypsin-like activity and inhibition of peptidylgluta
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	HMG-CoA reductase inhibitor
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Product Description Simvastatin is a prodrug. Simvastatin is a semisynthetic derivative/analog of lovastatin. Simvastatin is insoluble in water but is soluble in polar organic solvents. Product Application Simvastatin has been used: • as an inhibitor of HMG CoA reductase (HMGCR) • to study its effects on epithelial to mesenchymal transition (EMT) and the prognosis of patients with lung adenocarcinoma • in in vivo studies to test its effect on brain tumor−initiating cells (BTIC) viability and cell proliferation • to study the role of adenosine triphosphate (ATP)-binding cassette transporter A7 in phagocytosis of Jurkat cells • to study the effect on endothelial dysfunction and inflammation in mice

Product Properties

ALogP	4.7

Associated Targets(Human)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (15 Activities)

Discover Target: HMGCR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

Discover Target: PDE5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

Discover Target: GABRA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

Discover Target: HTR1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

Discover Target: AVPR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CALCR Tclin Calcitonin receptor (2215 Activities)

Discover Target: CALCR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)

Discover Target: CRHR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH1 Tclin Histamine H1 receptor (7573 Activities)

Discover Target: HRH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

Discover Target: ADRA1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

Discover Target: AVPR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

Discover Target: HTR3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)

Discover Target: Htr7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

Discover Target: Mc4r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ltc4s Leukotriene C4 synthase (1 Activities)

Discover Target: Ltc4s

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fdft1 Squalene synthetase (34 Activities)

Discover Target: Fdft1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ntsr1 Neurotensin receptor 1 (48 Activities)

Discover Target: Ntsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bdkrb1 Bradykinin B1 receptor (77 Activities)

Discover Target: Bdkrb1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Icmt Isoprenylcysteine carboxyl methyltransferase (12 Activities)

Discover Target: Icmt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Klebsiella pneumoniae (43867 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium berghei (192651 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cavia porcellus (23802 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cricetinae gen. sp. (3197 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEF (1005 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L6 (7924 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alpha trans-inducing protein (VP16) (945 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dengue virus type 2 (2400 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HMGCR 3-hydroxy-3-methylglutaryl-coenzyme A reductase (17 Activities)

Discover Target: HMGCR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a1 Solute carrier organic anion transporter family member 1A1 (265 Activities)

Discover Target: Slco1a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)

Discover Target: Slco1a4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Glra2 Glycine receptor (1745 Activities)

Discover Target: Glra2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
INCHI	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChi Key	RYMZZMVNJRMUDD-HGQWONQESA-N
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
Isomeric SMILES	CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
WGK Germany	2
RTECS	EK7798000
PubChem CID	54454
Molecular Weight	418.57
Reaxy-Rn	4768037

Database links

ChEMBL Ligand	CHEMBL1064
PubChem CID	54454
CAS Registry No.	79902-63-9
ChEBI	CHEBI:9150
DrugBank Ligand	DB00641
Wikipedia	Simvastatin
PEP	simvastatin
DrugCentral Ligand	2445

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
A2404354	Certificate of Analysis	Nov 17, 2023	S129538
L2301266	Certificate of Analysis	Nov 17, 2023	S129538
L2301267	Certificate of Analysis	Nov 17, 2023	S129538
L2301381	Certificate of Analysis	Nov 17, 2023	S129538
L2301382	Certificate of Analysis	Nov 17, 2023	S129538
L2301383	Certificate of Analysis	Nov 17, 2023	S129538
K2302026	Certificate of Analysis	Sep 19, 2023	S129538
L2103127	Certificate of Analysis	Sep 19, 2023	S129538
L2103128	Certificate of Analysis	Sep 19, 2023	S129538
L2103129	Certificate of Analysis	Sep 19, 2023	S129538
K2017174	Certificate of Analysis	Sep 20, 2022	S129538
D2328032	Certificate of Analysis	Aug 25, 2021	S129538
E2305057	Certificate of Analysis	Aug 25, 2021	S129538
G2315047	Certificate of Analysis	Aug 25, 2021	S129538

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Chemical and Physical Properties

Solubility	Soluble in DMSO (>25 mg/ml), ethanol (>25 mg/ml), water (0.03 mg/l), and methanol.
Sensitivity	Moisture & Air sensitive
Specific Rotation[α]	293° (C=1,CH3CN)
Melt Point(°C)	134°C

Safety and Hazards(GHS)

Pictogram(s)	GHS09, GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H410:Very toxic to aquatic life with long lasting effects H362:May cause harm to breast-fed children
Precautionary Statements	P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P263:Avoid contact during pregnancy/while nursing. P203:Obtain, read and follow all safety instructions before use. P318:if exposed or concerned, get medical advice. P332+P317:If skin irritation occurs: Get medical help.
WGK Germany	2
RTECS	EK7798000
Reaxy-Rn	4768037
Merck Index	8539

Alternative Products

Citations of This Product

1. Yulin Mo, Yanjun Yang, Jingqi Zeng, Weikun Ma, Yuxin Guan, Jingxi Guo, Xiaochun Wu, Dingkun Liu, Liang Feng, Xiaobin Jia, Bing Yang. (2023) Enhancing the Biopharmacological Characteristics of Asperosaponin VI: Unveiling Dynamic Self-Assembly Phase Transitions in the Gastrointestinal Environment. International Journal of Nanomedicine, [PMID:38084126]
2. Xiaojie Xu, Jiahui Zuo, Huajing Zeng, Yuan Zhao, Zengjie Fan. (2023) Improving Osseointegration Potential of 3D Printed PEEK Implants with Biomimetic Periodontal Ligament Fiber Hydrogel Surface Modifications. ADVANCED FUNCTIONAL MATERIALS, (2308811). [PMID:]
3. Xuejing Yang, Wenyu Cao, Xun Gu, Lijie Zheng, Qiuyue Wang, Yingying Li, Fang Wei, Tao Ma, Lu Zhang, Qingqing Wang. (2023) Simvastatin nanocrystals-based dissolving microneedles for wound healing. INTERNATIONAL JOURNAL OF PHARMACEUTICS, 647 (3): (123543). [PMID:37879572]
4. Wei Peng, Yufeng Qian, Xuchen Qi. (2023) Efficacy of a novel glioma therapy based on ferroptosis induced by layered double hydroxide loaded with simvastatin. ENVIRONMENTAL RESEARCH, 238 (11): (117112). [PMID:37717807]
5. Qingxin Shi, Yuqi Lin, Lu Huang, Shuna Jin, Rongzeng Huang, Lijun Zhang, Chengwu Song, Lei Xu, Shiying Zhang. (2023) Elucidating the mechanisms underlying the anti-hyperlipidemic effects of Laportea bulbifera using integrated serum metabolomics and network pharmacology. BIOMEDICAL CHROMATOGRAPHY, 37 (10): (e5707). [PMID:37496197]
6. Yanbin Zhao, Peng He, Junyan Yao, Mei Li, Bin Wang, Linyuan Han, Zhihai Huang, Chao Guo, Jing Bai, Feng Xue, Yu Cong, Weihua Cai, Paul K. Chu, Chenglin Chu. (2023) pH/NIR-responsive and self-healing coatings with bacteria killing, osteogenesis, and angiogenesis performances on magnesium alloy. BIOMATERIALS, 301 (122237). [PMID:37467596]
7. Qiao Bian, Chao Guo, Shuquan Cui, Jia Liu, Guohua Xu, Wei Feng. (2023) Accelerating bone regeneration in cranial defects using an injectable organic–inorganic composite hydrogel. Journal of Materials Chemistry B, 11 (16): (3713-3726). [PMID:37066627]
8. Shuwen Xu, Zhiyong Wu, Gaofeng Cai, Yue Zhang, Song Peng, Lina Jiao, Zhenguang Liu, Yang Yang, Deyun Wang. (2023) Astragalus polysaccharides combined with simvastatin as an immunostimulant enhances the immune adjuvanticity of oil-in-water emulsion and immune responses in mice. VACCINE, 41 (1684). [PMID:36754767]
9. Ling-Feng Zhang, Xing-Huan Wang, Cheng-Lu Zhang, Jaiwoo Lee, Bo-Wen Duan, Lei Xing, Ling Li, Yu-Kyoung Oh, Hu-Lin Jiang. (2022) Sequential Nano-Penetrators of Capillarized Liver Sinusoids and Extracellular Matrix Barriers for Liver Fibrosis Therapy. ACS Nano, 16 (9): (14029–14042). [PMID:36036898]

References

1. Denys A et al.. (2022) Binge Ethanol Exposure in Mice Represses Expression of Genes Involved in Osteoblast Function and Induces Expression of Genes Involved in Osteoclast Differentiation Independently of Endogenous Catalase.. Toxicol Sci, 185 (2): (232-245). [PMID:34755883]
2. Paškeviciute M & Petrikaite V. (2017) Differences of statin activity in 2D and 3D pancreatic cancer cell cultures.. Drug Des Devel Ther, 11 (3273-3280). [PMID:29180851]
3. Wang KC et al.. (2016) Flow-dependent YAP/TAZ activities regulate endothelial phenotypes and atherosclerosis.. Proc Natl Acad Sci U S A, 113 (41): (11525-11530). [PMID:27671657]
4. Peng Y et al.. (2017) Lovastatin Inhibits Cancer Stem Cells and Sensitizes to Chemo- and Photodynamic Therapy in Nasopharyngeal Carcinoma.. J Cancer, 8 (9): (1655-1664). [PMID:28775785]
5. Dai B et al.. (2021) Synergistic effects of magnesium ions and simvastatin on attenuation of high-fat diet-induced bone loss.. Bioact Mater, 6 (8): (2511-2522). [PMID:33665494]
6. Yulin Mo, Yanjun Yang, Jingqi Zeng, Weikun Ma, Yuxin Guan, Jingxi Guo, Xiaochun Wu, Dingkun Liu, Liang Feng, Xiaobin Jia, Bing Yang. (2023) Enhancing the Biopharmacological Characteristics of Asperosaponin VI: Unveiling Dynamic Self-Assembly Phase Transitions in the Gastrointestinal Environment. International Journal of Nanomedicine, [PMID:38084126]
7. Xiaojie Xu, Jiahui Zuo, Huajing Zeng, Yuan Zhao, Zengjie Fan. (2023) Improving Osseointegration Potential of 3D Printed PEEK Implants with Biomimetic Periodontal Ligament Fiber Hydrogel Surface Modifications. ADVANCED FUNCTIONAL MATERIALS, (2308811). [PMID:]
8. Xuejing Yang, Wenyu Cao, Xun Gu, Lijie Zheng, Qiuyue Wang, Yingying Li, Fang Wei, Tao Ma, Lu Zhang, Qingqing Wang. (2023) Simvastatin nanocrystals-based dissolving microneedles for wound healing. INTERNATIONAL JOURNAL OF PHARMACEUTICS, 647 (3): (123543). [PMID:37879572]
9. Wei Peng, Yufeng Qian, Xuchen Qi. (2023) Efficacy of a novel glioma therapy based on ferroptosis induced by layered double hydroxide loaded with simvastatin. ENVIRONMENTAL RESEARCH, 238 (11): (117112). [PMID:37717807]
10. Qingxin Shi, Yuqi Lin, Lu Huang, Shuna Jin, Rongzeng Huang, Lijun Zhang, Chengwu Song, Lei Xu, Shiying Zhang. (2023) Elucidating the mechanisms underlying the anti-hyperlipidemic effects of Laportea bulbifera using integrated serum metabolomics and network pharmacology. BIOMEDICAL CHROMATOGRAPHY, 37 (10): (e5707). [PMID:37496197]
11. Yanbin Zhao, Peng He, Junyan Yao, Mei Li, Bin Wang, Linyuan Han, Zhihai Huang, Chao Guo, Jing Bai, Feng Xue, Yu Cong, Weihua Cai, Paul K. Chu, Chenglin Chu. (2023) pH/NIR-responsive and self-healing coatings with bacteria killing, osteogenesis, and angiogenesis performances on magnesium alloy. BIOMATERIALS, 301 (122237). [PMID:37467596]
12. Qiao Bian, Chao Guo, Shuquan Cui, Jia Liu, Guohua Xu, Wei Feng. (2023) Accelerating bone regeneration in cranial defects using an injectable organic–inorganic composite hydrogel. Journal of Materials Chemistry B, 11 (16): (3713-3726). [PMID:37066627]
13. Shuwen Xu, Zhiyong Wu, Gaofeng Cai, Yue Zhang, Song Peng, Lina Jiao, Zhenguang Liu, Yang Yang, Deyun Wang. (2023) Astragalus polysaccharides combined with simvastatin as an immunostimulant enhances the immune adjuvanticity of oil-in-water emulsion and immune responses in mice. VACCINE, 41 (1684). [PMID:36754767]
14. Ling-Feng Zhang, Xing-Huan Wang, Cheng-Lu Zhang, Jaiwoo Lee, Bo-Wen Duan, Lei Xing, Ling Li, Yu-Kyoung Oh, Hu-Lin Jiang. (2022) Sequential Nano-Penetrators of Capillarized Liver Sinusoids and Extracellular Matrix Barriers for Liver Fibrosis Therapy. ACS Nano, 16 (9): (14029–14042). [PMID:36036898]

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Simvastatin - ≥97% (HPLC), high purity , HMG-CoA reductase inhibitor, CAS No.79902-63-9, HMG-CoA reductase inhibitor

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