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Chemical structure of PI3Kγ inhibitor 1

GC36910

PI3Kγ inhibitor 1

Also known as N-[6-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide

PI3Kγ inhibitor 1 is a PI3Kδ and PI3Kγ inhibitor extracted from patent WO2014004470A1, Compound 168 in Table 4, has IC50s of ＜100 nM

ChemicalCAS1172118-03-4MW586.67FormulaC32H26N8O2S
CAS number
1172118-03-4
Molecular weight
586.67
Formula
C32H26N8O2S
Solubility
Soluble in DMSO
InChIKey
UHZBJJRBPXOONG-UHFFFAOYSA-N
Catalogue number
GC36910
Brand
GLPBIO
Computed properties PubChem CID 44123663 · XLogP 5 · TPSA 160 Ų · H-bond donors 2
XLogP
5
TPSA
160 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
43

SMILES CC1=C2C(=CC=C1)C=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC7=C(C=C6)N=C(S7)NC(=O)C)N

Computed descriptors from PubChem (CID 44123663), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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