CHEBI:87158 - SU1498

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ChEBI Name SU1498
ChEBI ID CHEBI:87158
Definition A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
Download Molfile XML SDF
Formula C25H30N2O2
Net Charge 0
Average Mass 390.51790
Monoisotopic Mass 390.23073
InChI InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+
InChIKey JANPYFTYAGTSIN-FYJGNVAPSA-N
SMILES CC(C)c1cc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O
Roles Classification
Biological Role(s): vascular endothelial growth factor receptor antagonist
An antagonist at the vascular endothelial growth factor receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SU1498 (CHEBI:87158) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
SU1498 (CHEBI:87158) is a enamide (CHEBI:51751)
SU1498 (CHEBI:87158) is a monocarboxylic acid amide (CHEBI:29347)
SU1498 (CHEBI:87158) is a nitrile (CHEBI:18379)
SU1498 (CHEBI:87158) is a phenols (CHEBI:33853)
SU1498 (CHEBI:87158) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
(2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide
Synonyms Sources
SU 1498 SUBMITTER
SU-1498 SUBMITTER
Registry Number Type Source
13590854 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14625306 PubMed citation Europe PMC
19517030 PubMed citation Europe PMC
26167115 PubMed citation Europe PMC
Last Modified
07 March 2018