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Bentamapimod - 98%, high purity , c-Jun N-terminal kinase, JNK inhibitor, CAS No.848344-36-5, c-Jun N-terminal kinase, JNK inhibitor

Moligand™

≥98%

CAS#: 848344-36-5
Formula: C₂₅H₂₃N₅O₂S
Molecular Weight: 457.55
PubChem CID: 10195250
PubChem SID: 488196575

Item Number

B338598

Grouped product items
SKU	Size	Availability	Price
B338598-5mg	5mg	In stock	$75.90
B338598-10mg	10mg	In stock	$129.90
B338598-50mg	50mg	In stock	$271.90
B338598-100mg	100mg	In stock	$489.90
B338598-500mg	500mg	In stock	$14,586.90

a Jun kinase (JNK) inhibitor

Basic Description

Synonyms	Bentamapimod \| 848344-36-5 \| AS 602801 \| AS-602801 \| AS602801 \| Bentamapimod (Tautomer) \| PGL5001 \| Bentamapimod [INN] \| PGL-5001 \| TT3L4B4U0N \| 2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile \| 541507-14-6 \| 2-(Benzo[d]thiazol
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	AS602801 (Bentamapimod, PGL5001) is an orally active, ATP-competitive, potent and selective c-Jun N-terminal kinase (JNK) inhibitor (JNK1/2/3 IC50 = 80/90/230 nM). AS602801 decreases MMP-3 upregulation in endometrium cultures from patients with endometrio
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	c-Jun N-terminal kinase, JNK inhibitor
Product Description	Bentamapimod is a selective JNK (Jun kinase) inhibitor that has been found to be active via oral administration. The small molecule blocks T-cell proliferation and induces apoptosis.

Associated Targets(Human)

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

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

MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)

Discover Target: MAPK10

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

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

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

MAPK8 Tchem c-Jun N-terminal kinase, JNK (688 Activities)

Discover Target: MAPK8

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

SARS-CoV-2 (38078 Activities)

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

Names and Identifiers

Pubchem Sid	488196575
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196575
IUPAC Name	2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
INCHI	InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
InChi Key	XCPPIJCBCWUBNT-UHFFFAOYSA-N
Canonical SMILES	C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4
Isomeric SMILES	C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4
PubChem CID	10195250
Molecular Weight	457.55

Database links

ChEMBL Ligand	CHEMBL3545213
PubChem CID	10195250
CAS Registry No.	848344-36-5
PubChem SID	488196575

Certificates

Certificate of Analysis(COA)

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10 results found

Lot Number	Certificate Type	Date	Item
E2318263	Certificate of Analysis	Apr 04, 2023	B338598
E2318265	Certificate of Analysis	Apr 04, 2023	B338598
E2318267	Certificate of Analysis	Apr 04, 2023	B338598
E2318268	Certificate of Analysis	Apr 04, 2023	B338598
E2318270	Certificate of Analysis	Apr 04, 2023	B338598
E2318273	Certificate of Analysis	Apr 04, 2023	B338598
E2318275	Certificate of Analysis	Apr 04, 2023	B338598
E2318282	Certificate of Analysis	Apr 04, 2023	B338598
E2318284	Certificate of Analysis	Apr 04, 2023	B338598
E2318285	Certificate of Analysis	Apr 04, 2023	B338598

Chemical and Physical Properties

Solubility	insoluble in H2O; insoluble in EtOH; ≥11.45 mg/mL in DMSO
Refractive Index	n20D1.67 (Predicted)
Boil Point(°C)	666.5° C at 760 mmHg (Predicted)

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H302:Harmful if swallowed H332:Harmful if inhaled H302+H332:Harmful if swallowed or if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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. 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. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P332+P317:If skin irritation occurs: Get medical help.

References

1. Hussein M, Chai DC, Kyama CM, Mwenda JM, Palmer SS, Gotteland JP, D'Hooghe TM. (2016) c-Jun NH2-terminal kinase inhibitor bentamapimod reduces induced endometriosis in baboons: an assessor-blind placebo-controlled randomized study.. Fertil Steril, 105 (3): (815-824.e5). [PMID:26654972]
2. Okada M, Kuramoto K, Takeda H, Watarai H, Sakaki H, Seino S, Seino M, Suzuki S, Kitanaka C. (2016) The novel JNK inhibitor AS602801 inhibits cancer stem cells in vitro and in vivo.. Oncotarget, 7 (19): (27021-32). [PMID:27027242]
3. Palmer SS, Altan M, Denis D, Tos EG, Gotteland JP, Osteen KG, Bruner-Tran KL, Nataraja SG. (2016) Bentamapimod (JNK Inhibitor AS602801) Induces Regression of Endometriotic Lesions in Animal Models.. Reprod Sci, 23 (1): (11-23). [PMID:26335175]

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