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CHEBI:42356 - CAN-508

Default Structure
ChEBI IDCHEBI:42356
ChEBI NameCAN-508
Stars
DefinitionA 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.
Last Modified16 May 2022
DownloadsMolfile
FormulaC9H10N6O
Net Charge0
Average Mass218.220
Monoisotopic Mass218.09161
SMILESNc1nnc(N)c1N=Nc1ccc(O)cc1
InChIInChI=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)
InChIKeyAYZRKFOEZQBUEA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
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 Relation(s)
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  Source
4-[2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenolIUPAC
CAN 508ChEBI
CAN508ChEBI
CAY 10574ChEBI
CAY-10574ChEBI
CAY10574ChEBI
Manual XrefsDatabases
20487868ChemSpider
DB07731DrugBank
F18PDBeChem
Registry NumbersSources
CAS:140651-18-9ChemIDplus
Citations