Products for Research Use Only

PI3Kγ inhibitor 4

CAT: 0013-GTR19186448-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186448-01Size:25 mg
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Description
PI3Kγ inhibitor 4 is a potent and orally bioavailable small molecule with high selectivity for the PI3Kγ isoform (IC50 = 40 nM) . Its selectivity profile makes it a valuable research tool for investigating the role of PI3Kγ in immune cell signaling, inflammation, and related in vivo disease models.
CAS Number
1821038-80-5
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
CC=1C (=CC (S (NCC (C) (C) O) (=O) =O) =CC1) C=2C=C (C (N) =NC2) C=3OC (C) =NC3
Molecular Formula
C20H24N4O4S
Molecular Weight
416.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PI3K|A inhibitor 4
CAS Number1821038-80-5
PubChem CID118470069
IUPAC Name3-[6-amino-5-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
Molecular FormulaC20H24N4O4S
Molecular Weight416.5
XLogP1.9
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity653
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)(C)O)C2=CC(=C(N=C2)N)C3=CN=C(O3)C
InChI
InChI=1S/C20H24N4O4S/c1-12-5-6-15(29(26,27)24-11-20(3,4)25)8-16(12)14-7-17(19(21)23-9-14)18-10-22-13(2)28-18/h5-10,24-25H,11H2,1-4H3,(H2,21,23)
InChIKey
UQIUWUJYJBQZBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI3K|A inhibitor 4
CAS: 1821038-80-5
CID: 118470069
Formula: C20H24N4O4S
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass416.15182643
Monoisotopic Mass416.15182643
Topological Polar Surface Area140 Ų
Heavy Atom Count29
Formal Charge0
Complexity653
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