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PI3Kγ inhibitor 7

CAT: 0013-GTR19218767-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218767-01Size:25 mg
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Description
PI3Kγ Inhibitor 7 is a potent and orally bioavailable small molecule with high selectivity for the PI3Kγ isoform (IC50 = 3.42 nM) . It demonstrates antitumor activity in research models and is a valuable tool for studying PI3Kγ signaling in oncology and immunology, both in vitro and in vivo.
CAS Number
2575863-25-9
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1C=2C (N=C ([C@@H] (NC (=O) C3=C4N (N=C3N) C=CC=N4) C) N1C5=CC=CC=C5) =CC=CC2C#CC6=CN (N=C6) C7CC7
Molecular Formula
C31H25N9O2
Molecular Weight
555.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PI3K|A inhibitor 7
CAS Number2575863-25-9
PubChem CID155484523
IUPAC Name2-amino-N-[(1S)-1-[5-[2-(1-cyclopropylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC31H25N9O2
Molecular Weight555.6
XLogP3.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1140
SMILES
C[C@@H](C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)C#CC4=CN(N=C4)C5CC5)NC(=O)C6=C7N=CC=CN7N=C6N
InChI
InChI=1S/C31H25N9O2/c1-19(35-30(41)26-27(32)37-38-16-6-15-33-29(26)38)28-36-24-10-5-7-21(12-11-20-17-34-39(18-20)22-13-14-22)25(24)31(42)40(28)23-8-3-2-4-9-23/h2-10,15-19,22H,13-14H2,1H3,(H2,32,37)(H,35,41)/t19-/m0/s1
InChIKey
WJIZRLDLZOBDTH-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of PI3K|A inhibitor 7
CAS: 2575863-25-9
CID: 155484523
Formula: C31H25N9O2
MW: 555.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass555.21312107
Monoisotopic Mass555.21312107
Topological Polar Surface Area136 Ų
Heavy Atom Count42
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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