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Chemical structure of LY335979 (Zosuquidar 3HCL)

GC16609

LY335979 (Zosuquidar 3HCL)

Also known as (2R)-1-[4-[(2R,4S)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;trihydrochloride

Zosuquidar (LY335979) trihydrochloride is a P-glycoprotein (P-gp) inhibitor (Ki=59 nM)· LY335979 (Zosuquidar 3HCL) shows anti-tumor activities, and can be used in acute myelogenous leukemia (AML) research

ChemicalCAS167465-36-3MW637FormulaC32H34Cl3F2N3O2
CAS number
167465-36-3
Molecular weight
637
Formula
C32H34Cl3F2N3O2
Solubility
≥ 17·1mg/mL in DMSO
InChIKey
ZPFVQKPWGDRLHL-ZLYBXYBFSA-N
Catalogue number
GC16609
Brand
GLPBIO
Computed properties PubChem CID 153997 · TPSA 48.8 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
48.8 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
42

SMILES C1CN(CCN1C[C@H](COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47.Cl.Cl.Cl

Computed descriptors from PubChem (CID 153997), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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