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Chemical structure of Lisaftoclax

GC64467

Lisaftoclax

Also known as 4-[4-[[8-(4-chlorophenyl)spiro[3.5]non-7-en-7-yl]methyl]piperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Lisaftoclax (compound 6) is a dual Bcl-2 and Bcl-xl inhibitor with anti-tumor activity, extracted from patent WO2018027097A1· Lisaftoclax exhibits IC50 values of 2 nM and 5·9 nM for Bcl-2 and Bcl-xl, respectively

ChemicalCAS2180923-05-9MW882.42FormulaC45H48ClN7O8S
CAS number
2180923-05-9
Molecular weight
882.42
Formula
C45H48ClN7O8S
InChIKey
FNBXDBIYRAPDPI-BHVANESWSA-N
Catalogue number
GC64467
Brand
GLPBIO
Computed properties PubChem CID 137355972 · XLogP 7.5 · TPSA 192 Ų · H-bond donors 3
XLogP
7.5
TPSA
192 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
62

SMILES C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC[C@H]7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9

Computed descriptors from PubChem (CID 137355972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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