CAN-508 (CHEBI:42356)

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ChEBI Name	CAN-508

ChEBI ID	CHEBI:42356

Definition	A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC₅₀ = 0.35 μM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes.

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

Supplier Information

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Formula

C9H10N6O

Net Charge

Average Mass

218.220

Monoisotopic Mass

218.09161

InChI

InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)

InChIKey

AYZRKFOEZQBUEA-UHFFFAOYSA-N

SMILES

NC1=C(N=NC2=CC=C(O)C=C2)C(N)=NN1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 2.7.11.22 (cyclin-dependent kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).

Application(s):	angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	CAN-508 (CHEBI:42356) has role angiogenesis inhibitor (CHEBI:48422) CAN-508 (CHEBI:42356) has role antineoplastic agent (CHEBI:35610) CAN-508 (CHEBI:42356) has role apoptosis inducer (CHEBI:68495) CAN-508 (CHEBI:42356) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665) CAN-508 (CHEBI:42356) is a aromatic amine (CHEBI:33860) CAN-508 (CHEBI:42356) is a monoazo compound (CHEBI:48959) CAN-508 (CHEBI:42356) is a phenols (CHEBI:33853) CAN-508 (CHEBI:42356) is a pyrazoles (CHEBI:26410)

IUPAC Name

4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol

Synonyms	Sources
4-[2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol	IUPAC
CAN 508	ChEBI
CAN508	ChEBI
CAY 10574	ChEBI
CAY-10574	ChEBI
CAY10574	ChEBI
Cdk9 inhibitor II	ChEBI

Registry Number	Type	Source
140651-18-9	CAS Registry Number	ChemIDplus

Last Modified

16 May 2022

General Comment
2022-05-16	This is the entry for material with unspecified double bond configuration.