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CHEBI:90954 - MCB-613

ChEBI IDCHEBI:90954
ChEBI NameMCB-613
Stars
DefinitionA cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells.
Last Modified20 January 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC20H20N2O
Net Charge0
Average Mass304.393
Monoisotopic Mass304.15756
SMILESCCC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1
InChIInChI=1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/b18-11+,19-12+
InChIKeyMMBSCBVEHMETSA-GDAWTGGTSA-N
Roles Classification
Biological Role:
steroid receptor coactivator stimulator  A compound that enhances the activity of a steroid receptor coactivator.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
MCB-613 (CHEBI:90954) has role antineoplastic agent (CHEBI:35610)
MCB-613 (CHEBI:90954) has role steroid receptor coactivator stimulator (CHEBI:90991)
MCB-613 (CHEBI:90954) is a cyclic ketone (CHEBI:3992)
MCB-613 (CHEBI:90954) is a enone (CHEBI:51689)
MCB-613 (CHEBI:90954) is a pyridines (CHEBI:26421)
IUPAC Name 
(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanone
Synonyms  Source
MCB613ChEBI
MCB 613ChEBI
(2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-oneChEBI
Manual XrefsDatabases
WO2008144011Patent
Registry NumbersSources
Reaxys:25955891Reaxys
Citations