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Chemical structure of Pelcitoclax

GC62505

Pelcitoclax

Also known as 3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid

Pelcitoclax (APG-1252) is a potent Bcl-2/Bcl-xl inhibitor with antineoplastic and pro-apoptotic effects

ChemicalCAS1619923-36-2MW1281.85FormulaC57H66ClF4N6O11PS4
CAS number
1619923-36-2
Molecular weight
1281.85
Formula
C57H66ClF4N6O11PS4
InChIKey
QIOCQCYXBYUYLH-YACUFSJGSA-N
Catalogue number
GC62505
Brand
GLPBIO
Computed properties PubChem CID 76900653 · XLogP 7.5 · TPSA 275 Ų · H-bond donors 4
XLogP
7.5
TPSA
275 Ų
H-bond donors
4
H-bond acceptors
21
Rotatable bonds
24
Heavy atoms
84

SMILES CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C

Computed descriptors from PubChem (CID 76900653), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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