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Chemical structure of PX 866

GC12889

PX 866

Also known as [(3aR,6E,9S,9aR,10R,11aS)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate

PX 866 (PX-866), an improved Wortmannin analogue, is an oral, irreversible, and pan-isoform inhibitor of PI3K (IC50=0·1 nM (p110α), 1·0 nM (p120γ), 2·9 nM (p110δ))· Antitumor activity

ChemicalCAS502632-66-8MW525.6FormulaC29H35NO8
CAS number
502632-66-8
Molecular weight
525.6
Formula
C29H35NO8
Solubility
≤25mg/ml in ethanol;14mg/ml in DMSO;25mg/ml in dimethyl formamide
InChIKey
QIUASFSNWYMDFS-NILGECQDSA-N
Catalogue number
GC12889
Brand
GLPBIO
Computed properties PubChem CID 9849735 · XLogP 1.7 · TPSA 119 Ų · H-bond donors 1
XLogP
1.7
TPSA
119 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
38

SMILES CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C

Computed descriptors from PubChem (CID 9849735), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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