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Chemical structure of VPS34 inhibitor 1

GC26044

VPS34 inhibitor 1

Also listed as VPS34 inhibitor 1 (Compound 19)

VPS34 inhibitor 1 (Compound 19, PIK-III analogue) is a potent and selective inhibitor of VPS34 with an IC50 of 15 nM

ChemicalCAS1383716-46-8MW391.47FormulaC21H25N7O
CAS number
1383716-46-8
Molecular weight
391.47
Formula
C21H25N7O
Solubility
DMSO： 78 mg/mL (199·25 mM);Water： Insoluble;Ethanol： Insoluble
InChIKey
XJTIGGCBXFIZJV-UHFFFAOYSA-N
Catalogue number
GC26044
Brand
GLPBIO
Computed properties PubChem CID 67983918 · XLogP 2.6 · TPSA 109 Ų · H-bond donors 3
XLogP
2.6
TPSA
109 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29

SMILES CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O

Computed descriptors from PubChem (CID 67983918), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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