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Chemical structure of PI3K-IN-37

GC75339

PI3K-IN-37

Also known as 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one

PI3K-IN-37 (Example 84·1) is a PI3K α/β/δ inhibitor with IC50s of 6, 8, 4 nM, respectively

ChemicalCAS1257547-40-2MW442.51FormulaC25H26N6O2
CAS number
1257547-40-2
Molecular weight
442.51
Formula
C25H26N6O2
InChIKey
YWDAJLXJSLKKPA-UHFFFAOYSA-N
Catalogue number
GC75339
Brand
GLPBIO
Computed properties PubChem CID 59620037 · XLogP 3.2 · TPSA 76.4 Ų · H-bond donors 0
XLogP
3.2
TPSA
76.4 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33

SMILES CC1=C(C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=CN(N=C5C)C)C)OC(C)C

Computed descriptors from PubChem (CID 59620037), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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