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CHEBI:189826 - SYC-435

ChEBI IDCHEBI:189826
ChEBI NameSYC-435
Stars
DefinitionA cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and benzyl groups, respectively. It is a potent inhibitor of mutant isocitrate dehydrogenase 1 (Ki values of 190 nM against R132H mutant and 120 nM against R132C mutant).
Last Modified6 June 2022
SubmitterKalpana P
DownloadsMolfile
FormulaC13H13NO2
Net Charge0
Average Mass215.252
Monoisotopic Mass215.09463
SMILESCc1cc(Cc2ccccc2)n(O)c(=O)c1
InChIInChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyAVLZAVSZOAQKRC-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of any isocitrate dehydrogenase (EC 1.1.1.42).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SYC-435 (CHEBI:189826) has role antineoplastic agent (CHEBI:35610)
SYC-435 (CHEBI:189826) has role EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor (CHEBI:145410)
SYC-435 (CHEBI:189826) is a benzenes (CHEBI:22712)
SYC-435 (CHEBI:189826) is a cyclic hydroxamic acid (CHEBI:23445)
SYC-435 (CHEBI:189826) is a pyridone (CHEBI:38183)
IUPAC Name 
6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
Synonyms  Source
6-benzyl-4-methyl-1-hydroxypyridin-2(1H)-oneChEBI
6-benzyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-oneIUPAC
1-hydroxy-4-methyl-6-benzyl-2(1H)-pyridoneChEBI
6-benzyl-1-hydroxy-4-methylpyridin-2-oneChEBI
1-hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinoneChEBI
SYC 435ChEBI
Manual XrefsDatabases
1BZPDBeChem
14787404ChemSpider
Registry NumbersSources
CAS:50405-58-8ChEBI
Citations