methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543)

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ChEBI Name	methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate

ChEBI ID	CHEBI:90543

Definition	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).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Matthias Ziehm

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Formula

C12H11NO3S2

Net Charge

Average Mass

281.353

Monoisotopic Mass

281.01804

InChI

InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)

InChIKey

CXOCENPNQSXLGZ-UHFFFAOYSA-N

SMILES

C=1(C=CSC1C(OC)=O)NC(CC2=CC=CS2)=O

Roles Classification
Biological Role(s):	c-Jun N-terminal kinase inhibitor An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase.

ChEBI Ontology
Outgoing	methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) has functional parent 2-thienylacetic acid (CHEBI:45807) methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172) methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) is a methyl ester (CHEBI:25248) methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) is a secondary carboxamide (CHEBI:140325) methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) is a thiophenes (CHEBI:26961)

IUPAC Name

methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate

Synonym	Source
SYY	PDBeChem

Registry Number	Type	Source
21031790	Reaxys Registry Number	Reaxys

Citation	Type	Source
21071223	PubMed citation	Europe PMC

Last Modified

07 March 2018