MCB-613 (CHEBI:90954)

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ChEBI Name	MCB-613

ChEBI ID	CHEBI:90954

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

Formula

C20H20N2O

Net Charge

Average Mass

304.386

Monoisotopic Mass

304.15756

InChI

InChI=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+

InChIKey

MMBSCBVEHMETSA-GDAWTGGTSA-N

SMILES

C/1(/C(/CC(C\C1=C/C2=CN=CC=C2)CC)=C/C3=CN=CC=C3)=O

Roles Classification
Biological Role(s):	steroid receptor coactivator stimulator A compound that enhances the activity of a steroid receptor coactivator.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
(2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-one	ChEBI
MCB 613	ChEBI
MCB613	ChEBI

Registry Number	Type	Source
25955891	Reaxys Registry Number	Reaxys

Citation	Type	Source
26267537	PubMed citation	SUBMITTER

Last Modified

20 January 2016