Grouped product items

SKU

Size

Availability

Price

Qty

L127562-10mg

10mg

Available within 4-8 weeks(?)

$90.90

L127562-50mg

50mg

Available within 4-8 weeks(?)

$195.90

L127562-100mg

100mg

Available within 8-12 weeks(?)

$325.90

Basic Description

Synonyms	Erismodegib\|Sonidegib\|956697-53-3\|LDE225\|NVP-LDE225\|Odomzo\|LDE-225\|NVP-LDE 225\|LDE 225\|Odomozo\|UNII-0RLU3VTK5M\|0RLU3VTK5M\|Sonidegib (LDE-225)\|NVP-LDE-225\|LDE225 (NVP-LDE225,Erismodegib)\|erismodegib (deleted INN)\|LDE225 Diphosphate\|N-(6-((2S,6R)-2,6-dimeth
Specifications & Purity	Moligand™, ≥99%
Biochemical and Physiological Mechanisms	LDE225 is an orally bioavailable small-molecule Smoothened (Smo) antagonist with potential antineoplastic activity. LDE225 selectively binds to the Hedgehog (Hh)-ligand cell surface receptor Smo, which may result in the suppression of the Hh signaling pat
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of SMO
Note	Toxic, refer to SDS for further information . Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	LDE225 (NVP-LDE225,Erismodegib) is a Smoothened (Smo) antagonist, inhibiting Hedgehog (Hh) signaling with IC50 of 1.3 nM (mouse) and 2.5 nM (human), respectively.

Associated Targets

CNR1 Tclin Cannabinoid receptor 1 0 Activities

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DRD2 Tclin D(2) dopamine receptor 0 Activities

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DRD4 Tchem D(4) dopamine receptor 0 Activities

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ESR1 Tclin Estrogen receptor 0 Activities

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GABRA1 Tclin Gamma-aminobutyric acid receptor subunit alpha-1 0 Activities

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NR3C1 Tclin Glucocorticoid receptor 0 Activities

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EXOSC9 Tbio Exosome complex component RRP45 0 Activities

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ESR2 Tclin Estrogen receptor beta 0 Activities

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BRD4 Tchem Bromodomain-containing protein 4 0 Activities

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CDK2 Tchem Cyclin-dependent kinase 2 0 Activities

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AVPR1A Tclin Vasopressin V1a receptor 0 Activities

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HDAC6 Tclin Histone deacetylase 6 0 Activities

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FGFR3 Tclin Fibroblast growth factor receptor 3 0 Activities

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HRH1 Tclin Histamine H1 receptor 0 Activities

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SLC6A3 Tclin Sodium-dependent dopamine transporter 0 Activities

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SLC6A4 Tclin Sodium-dependent serotonin transporter 0 Activities

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PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D 0 Activities

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PDE3A Tclin cGMP-inhibited 3',5'-cyclic phosphodiesterase A 0 Activities

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PTGS1 Tclin Prostaglandin G/H synthase 1 0 Activities

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PTGS2 Tclin Prostaglandin G/H synthase 2 0 Activities

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CACNA1C Tclin Voltage-dependent L-type calcium channel subunit alpha-1C 0 Activities

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AURKA Tchem Aurora kinase A 0 Activities

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ADRA2B Tclin Alpha-2B adrenergic receptor 0 Activities

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 0 Activities

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ADRA2C Tclin Alpha-2C adrenergic receptor 0 Activities

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HTR2A Tclin 5-hydroxytryptamine receptor 2A 0 Activities

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

ADORA2A Tclin Adenosine receptor A2a 0 Activities

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ABL1 Tclin Tyrosine-protein kinase ABL1 0 Activities

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ADRA2A Tclin Alpha-2A adrenergic receptor 0 Activities

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ADRB1 Tclin Beta-1 adrenergic receptor 0 Activities

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ADRA1A Tclin Alpha-1A adrenergic receptor 0 Activities

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AR Tclin Androgen receptor 0 Activities

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ADORA1 Tclin Adenosine receptor A1 0 Activities

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HTR1A Tclin 5-hydroxytryptamine receptor 1A 0 Activities

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

ADORA3 Tchem Adenosine receptor A3 0 Activities

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

HTR3A Tclin 5-hydroxytryptamine receptor 3A 0 Activities

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HTR2B Tclin 5-hydroxytryptamine receptor 2B 0 Activities

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

EDNRA Tclin Endothelin-1 receptor 0 Activities

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EDNRB Tclin Endothelin receptor type B 0 Activities

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GSK3B Tclin Glycogen synthase kinase-3 beta 0 Activities

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

GPR119 Tclin Glucose-dependent insulinotropic receptor 0 Activities

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

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

OPRD1 Tclin Delta-type opioid receptor 0 Activities

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

OPRK1 Tclin Kappa-type opioid receptor 0 Activities

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

OPRM1 Tclin Mu-type opioid receptor 0 Activities

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

TACR1 Tclin Substance-P receptor 0 Activities

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

Names and Identifiers

IUPAC Name	N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
INCHI	InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
InChi Key	VZZJRYRQSPEMTK-CALCHBBNSA-N
Canonical SMILES	CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F
Isomeric SMILES	C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F
PubChem CID	24775005
Molecular Weight	485.5

Database links

PubChem CID	24775005
ChEMBL Ligand	CHEMBL2105737
CAS Registry No.	956697-53-3
Wikipedia	Erismodegib
DrugCentral Ligand	5008
GPCRdb Ligand	sonidegib

Certificates

Certificate of Analysis(COA)

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To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section

2 results found

Lot Number	Certificate Type	Date	Item
J1520106	Certificate of Analysis	May 10, 2023	L127562
L1804146	Certificate of Analysis	Aug 08, 2022	L127562

Chemical and Physical Properties

Solubility	DMSO >60 mg/mL Ethanol >60 mg/mL

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. 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). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

References

1. Wang J, Mook Jr RA, Lu J, Gooden DM, Ribeiro A, Guo A, Barak LS, Lyerly HK, Chen W. (2012) Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling.. Bioorg Med Chem, 20 (22): (6751-7). [PMID:23063522]
2. Pan S, Wu X, Jiang J, Gao W, Wan Y, Cheng D, Han D, Liu J, Englund NP, Wang Y et al.. (2010) Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist.. ACS Med Chem Lett, 1 (3): (130-4). [PMID:24900187]

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SKU	Size	Availability	Price
L127562-10mg	10mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
L127562-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$195.90
L127562-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90

LDE225 (NVP-LDE225,Erismodegib) - ≥99%, high purity , CAS No.956697-53-3, Antagonist of SMO