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CHEBI:195529 - AOH1996

ChEBI IDCHEBI:195529
ChEBI NameAOH1996
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of N-(naphthalen-1-ylcarbonyl)glycine with the amino group of 2-(3-methoxyphenoxy)aniline. It is a first-in-class small molecule inhibitor of PCNA, a protein essential for DNA replication and repair within tumours.
Last Modified7 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC26H22N2O4
Net Charge0
Average Mass426.472
Monoisotopic Mass426.15796
SMILESCOc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C26H22N2O4/c1-31-19-10-7-11-20(16-19)32-24-15-5-4-14-23(24)28-25(29)17-27-26(30)22-13-6-9-18-8-2-3-12-21(18)22/h2-16H,17H2,1H3,(H,27,30)(H,28,29)
InChIKeyHDMONPHKMIZXDH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
PCNA inhibitor  An inhibitor that interferes with the action of PCNA.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AOH1996 (CHEBI:195529) has role antineoplastic agent (CHEBI:35610)
AOH1996 (CHEBI:195529) has role apoptosis inducer (CHEBI:68495)
AOH1996 (CHEBI:195529) has role PCNA inhibitor (CHEBI:195530)
AOH1996 (CHEBI:195529) is a aromatic ether (CHEBI:35618)
AOH1996 (CHEBI:195529) is a diether (CHEBI:46786)
AOH1996 (CHEBI:195529) is a monomethoxybenzene (CHEBI:25235)
AOH1996 (CHEBI:195529) is a naphthalenecarboxamide (CHEBI:48739)
AOH1996 (CHEBI:195529) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-{2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl}naphthalene-1-carboxamide
Synonyms  Source
AOH-1996ChEBI
AOH 1996ChEBI
Manual XrefsDatabases
AOH1996Wikipedia
Registry NumbersSources
CAS:2089314-64-5ChEBI
Citations