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

ChEBI IDCHEBI:90543
ChEBI Namemethyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate
Stars
DefinitionA 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).
Last Modified7 March 2018
Submittermziehm
DownloadsMolfile
FormulaC12H11NO3S2
Net Charge0
Average Mass281.358
Monoisotopic Mass281.01804
SMILESCOC(=O)c1sccc1NC(=O)Cc1cccs1
InChIInChI=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)
InChIKeyCXOCENPNQSXLGZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
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 Relation(s)
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
SYYPDBeChem
Manual XrefsDatabases
SYYPDBeChem
Registry NumbersSources
Reaxys:21031790Reaxys
Citations