PP2 (CHEBI:78331)

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ChEBI Name	PP2

ChEBI ID	CHEBI:78331

Definition	A member of the class of pyrazolopyrimidine that is pyrazolo[3,4-d]pyrimidin-4-amine bearing additional tert-butyl and 4-chlorophenyl substituents at positions 1 and 3 respectively. It is a potent ATP-competitive inhibitor of the Src family of protein tyrosine kinases.

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

Submitter	Margaret Duesbury

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Formula

C15H16ClN5

Net Charge

Average Mass

301.77400

Monoisotopic Mass

301.10942

InChI

InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)

InChIKey

PBBRWFOVCUAONR-UHFFFAOYSA-N

SMILES

CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12

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):	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). beta-adrenergic antagonist An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.

Application(s):	beta-adrenergic antagonist An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

ChEBI Ontology
Outgoing	PP2 (CHEBI:78331) has role β-adrenergic antagonist (CHEBI:35530) PP2 (CHEBI:78331) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617) PP2 (CHEBI:78331) has role geroprotector (CHEBI:176497) PP2 (CHEBI:78331) is a aromatic amine (CHEBI:33860) PP2 (CHEBI:78331) is a monochlorobenzenes (CHEBI:83403) PP2 (CHEBI:78331) is a pyrazolopyrimidine (CHEBI:38669)

IUPAC Name

1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Last Modified

28 October 2021