ChemicalBook--->CAS DataBase List--->676594-38-0

676594-38-0

676594-38-0 Structure

676594-38-0 Structure
IdentificationBack Directory
[Name]

2-Thiophenecarboxylic acid, 3-[[2-(2-thienyl)acetyl]amino]-, methyl ester
[CAS]

676594-38-0
[Synonyms]

JNK-IN-11
2-Thiophenecarboxylic acid, 3-[[2-(2-thienyl)acetyl]amino]-, methyl ester
[Molecular Formula]

C12H11NO3S2
[MOL File]

676594-38-0.mol
[Molecular Weight]

281.35
Chemical PropertiesBack Directory
[Boiling point ]

510.5±50.0 °C(Predicted)
[density ]

1.406±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

13.59±0.70(Predicted)
[color ]

White to yellow
Hazard InformationBack Directory
[Uses]

JNK-IN-11 (compound 1) is a potent JNK inhibitor with an IC50 value of 2.2, 21.4, 1.8 μM for JNK1, JNK2, JNK3, respectively. JNK-IN-11 has the potential for the research of alzheimer and parkinson disease[1].
[Definition]

ChEBI: Methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate is a carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs). It has a role as a c-Jun N-terminal kinase inhibitor. It is a methyl ester, a member of thiophenes and a secondary carboxamide. It is functionally related to a 2-thienylacetic acid.
[IC 50]

JNK1: 1.8 μM (IC50); JNK3: 2.2 μM (IC50); JNK2: 21.4 μM (IC50)
[References]

[1] Hom RK, et al. Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7303-7. DOI:10.1016/j.bmcl.2010.10.066
Spectrum DetailBack Directory
[Spectrum Detail]

2-Thiophenecarboxylic acid, 3-[[2-(2-thienyl)acetyl]amino]-, methyl ester(676594-38-0)1HNMR
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