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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:
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.
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).
Applications:
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.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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