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PI3Kγ inhibitor 4

CAT: 0804-HY-132299Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132299Size:1 Each
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Description
PI3Kγ inhibitor 4 is a potent, selective and orally active inhibitor of PI3Kγ, with an IC50 of 40 nM. PI3Kγ inhibitor 4 shows ～7, 43, and 18-fold selectivity for PI3Kγ over the α, β, and δ isoforms, respectively. PI3Kγ inhibitor 4 can be used for the research of airway inflammation[1].
CAS Number
1821038-80-5
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pi3kγ-inhibitor-4.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=CC=C(C)C(C2=CC(C3=CN=C(C)O3)=C(N)N=C2)=C1)(NCC(C)(O)C)=O
Molecular Formula
C20H24N4O4S
Molecular Weight
416.49
References & Citations
[1]Bellenie BR, et, al. Discovery and Toxicological Profiling of Aminopyridines as Orally Bioavailable Selective Inhibitors of PI3-Kinase γ. J Med Chem. 2021 Aug 26;64 (16) :12304-12321.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PI3Kα; PI3Kγ

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...
View on PubChemRaw 3D data
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

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