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Chemical structure of PI3K-IN-31

GC69708

PI3K-IN-31

Also known as 2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol

PI3K-IN-31 (Compound 6b) is an effective PI3K inhibitor with IC50 values of 3·7 nM, 74 nM, 14·6 nM and 9·9 nM for PI3Kα, PI3Kβ, PI3Kγ and PI3Kδ respectively· It has anti-cancer properties

ChemicalCAS1359956-12-9MW435.43FormulaC19H23F2N7O3
CAS number
1359956-12-9
Molecular weight
435.43
Formula
C19H23F2N7O3
Solubility
DMSO ： 100 mg/mL (229·66 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DUFOKEKRNQSOSS-UHFFFAOYSA-N
Catalogue number
GC69708
Brand
GLPBIO
Computed properties PubChem CID 89627797 · XLogP 1.3 · TPSA 113 Ų · H-bond donors 2
XLogP
1.3
TPSA
113 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
31

SMILES C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N(CCO)CCO

Computed descriptors from PubChem (CID 89627797), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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