CCT-018159 (CHEBI:41656)

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ChEBI Name	CCT-018159

ChEBI ID	CHEBI:41656

Definition	A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.

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

Supplier Information

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Formula

C20H20N2O4

Net Charge

Average Mass

352.38380

Monoisotopic Mass

352.14231

InChI

InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)

InChIKey

OWPMENVYXDJDOW-UHFFFAOYSA-N

SMILES

CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O

Roles Classification
Biological Role(s):	Hsp90 inhibitor An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

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

ChEBI Ontology
Outgoing	CCT-018159 (CHEBI:41656) has role antineoplastic agent (CHEBI:35610) CCT-018159 (CHEBI:41656) has role apoptosis inducer (CHEBI:68495) CCT-018159 (CHEBI:41656) has role Hsp90 inhibitor (CHEBI:63962) CCT-018159 (CHEBI:41656) is a benzodioxine (CHEBI:64096) CCT-018159 (CHEBI:41656) is a pyrazoles (CHEBI:26410) CCT-018159 (CHEBI:41656) is a resorcinols (CHEBI:33572)

IUPAC Name

4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol

Synonyms	Sources
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrazol-5-yl]-6-ethylbenzene-1,3-diol	ChEBI
CCT 018159	ChEBI
CCT018159	ChEBI

Last Modified

14 July 2016