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Chemical structure of PI3kδ inhibitor 1

GC36911

PI3kδ inhibitor 1

Also known as 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol

PI3kδ inhibitor 1 is a potent and selective PI3Kδ inhibitor with an IC50 of 3·8 nM

ChemicalCAS1332075-63-4MW504.6FormulaC28H33FN6O2
CAS number
1332075-63-4
Molecular weight
504.6
Formula
C28H33FN6O2
Solubility
Soluble in DMSO
InChIKey
ONEJEIKQLAZPNN-UHFFFAOYSA-N
Catalogue number
GC36911
Brand
GLPBIO
Computed properties PubChem CID 53378051 · XLogP 3.1 · TPSA 90.4 Ų · H-bond donors 2
XLogP
3.1
TPSA
90.4 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37

SMILES CC(C)(C1CCN(CC1)CC2=NC3=C(C=C2)N=C(N=C3N4CCOCC4)C5=C(C=CC6=C5C=CN6)F)O

Computed descriptors from PubChem (CID 53378051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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