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CHEBI:78331 - PP2

Default Structure
ChEBI IDCHEBI:78331
ChEBI NamePP2
Stars
DefinitionA 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.
Last Modified28 October 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC15H16ClN5
Net Charge0
Average Mass301.781
Monoisotopic Mass301.10942
SMILESCC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=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)
InChIKeyPBBRWFOVCUAONR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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 β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
ChEBI Ontology
Outgoing Relation(s)
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) has role β-adrenergic antagonist (CHEBI:35530)
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
Synonyms  Source
AG 1879ChEBI
AG-1879ChEBI
AG1879ChEBI
Manual XrefsDatabases
LSM-4153LINCS
PP2PDBeChem
PP2_(kinase_inhibitor)Wikipedia
Registry NumbersSources
Reaxys:9409964Reaxys
CAS:172889-27-9ChEBI
Citations