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Chemical structure of BGT226

GC35509

BGT226

Also known as 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one

BGT226 (NVP-BGT226) is a PI3K (with IC50s of 4 nM, 63 nM and 38 nM for PI3Kα, PI3Kβ and PI3Kγ)/mTOR dual inhibitor which displays potent growth-inhibitory activity against human head and neck cancer cells

ChemicalCAS915020-55-2MW534.53FormulaC28H25F3N6O2
CAS number
915020-55-2
Molecular weight
534.53
Formula
C28H25F3N6O2
Solubility
Soluble in DMSO
InChIKey
BMMXYEBLEBULND-UHFFFAOYSA-N
Catalogue number
GC35509
Brand
GLPBIO
Computed properties PubChem CID 11978790 · XLogP 4 · TPSA 73.8 Ų · H-bond donors 1
XLogP
4
TPSA
73.8 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
39

SMILES CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC

Computed descriptors from PubChem (CID 11978790), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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