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Chemical structure of A-385358

GC32981

A-385358

Also known as N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide

A-385358 is a selective inhibitor of Bcl-XL with Kis of 0·80 and 67 nM for Bcl-XL and Bcl-2, respectively

ChemicalCAS406228-55-5MW639.83FormulaC32H41N5O5S2
CAS number
406228-55-5
Molecular weight
639.83
Formula
C32H41N5O5S2
Solubility
DMSO ： 125 mg/mL (195·36 mM)
InChIKey
DWEHITNKTMMZBR-RUZDIDTESA-N
Catalogue number
GC32981
Brand
GLPBIO
Computed properties PubChem CID 11556440 · XLogP 7.2 · TPSA 161 Ų · H-bond donors 2
XLogP
7.2
TPSA
161 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
44

SMILES CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)N[C@H](CCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-])C

Computed descriptors from PubChem (CID 11556440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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