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Chemical structure of (Rac)-Lisaftoclax

GC72991

(Rac)-Lisaftoclax

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

(Rac)-Lisaftoclax ((Rac)-APG-2575) is a Bcl-2 inhibitor that can be uesd for hematologic malignancy research (CN112898295A)

ChemicalCAS2651980-10-6MW882.42FormulaC45H48ClN7O8S
CAS number
2651980-10-6
Molecular weight
882.42
Formula
C45H48ClN7O8S
Solubility
DMSO ： 0·5 mg/mL (0·57 mM; Need ultrasonic and warming)
InChIKey
FNBXDBIYRAPDPI-UHFFFAOYSA-N
Catalogue number
GC72991
Brand
GLPBIO
Computed properties PubChem CID 137355976 · 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)NCC7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9

Computed descriptors from PubChem (CID 137355976), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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