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CHEBI:42356 - CAN-508

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:
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).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
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
CAY10574ChEBI
CAY 10574ChEBI
CAY-10574ChEBI
Manual XrefsDatabases
F18PDBeChem
DB07731DrugBank
20487868ChemSpider
Registry NumbersSources
CAS:140651-18-9ChemIDplus
Citations