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Chemical structure of ABT-263 (Navitoclax)

GC12405

ABT-263 (Navitoclax)

Also known as 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

ABT-263 (Navitoclax) is a inhibitor of Bcl-xL, Bcl-2 and Bcl-w, with Ki ≤0·5 nM, ≤1 nM and ≤1 nM respectively

ChemicalCAS923564-51-6MW974.61FormulaC47H55ClF3N5O6S3
CAS number
923564-51-6
Molecular weight
974.61
Formula
C47H55ClF3N5O6S3
Solubility
≥ 48·7305mg/mL in DMSO
InChIKey
JLYAXFNOILIKPP-KXQOOQHDSA-N
Catalogue number
GC12405
Brand
GLPBIO
Computed properties PubChem CID 24978538 · XLogP 9.6 · TPSA 170 Ų · H-bond donors 2
XLogP
9.6
TPSA
170 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
65

SMILES CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

Computed descriptors from PubChem (CID 24978538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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