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PP2 10mM * 1mL in DMSO

CAT: 0628-A12723-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A12723-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
172889-27-9

Chemical Information

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine

PP2 is 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. It has a role as a geroprotector, a beta-adrenergic antagonist and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is an aromatic amine, a pyrazolopyrimidine and a member of monochlorobenzenes.

CAS Number172889-27-9
PubChem CID4878
IUPAC Name1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC15H16ClN5
Molecular Weight301.77
XLogP3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N
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
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CAS: 172889-27-9
CID: 4878
Formula: C15H16ClN5
MW: 301.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.77
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass301.1094232
Monoisotopic Mass301.1094232
Topological Polar Surface Area69.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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