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ABT 737-[d8]

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General Information
Catalog: BLP-003187
CAS: 1217686-68-4
Molecular Formula: C42H37D8ClN6O5S2
Molecular Weight: 821.48

Chemical Structure

Description	Labelled ABT-737. ABT-737 is a potent, cell-permeable mimetic of BH3 domains that avidly binds Bcl-2, Bcl-xL, and Bcl-W (Ki < 1 nM for all three proteins). It blocks the interaction of these proteins with pro-death proteins, leading to apoptosis.
Synonyms	4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide-d8
IUPAC Name	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide
Related CAS	852808-04-9 (unlabelled)
Canonical SMILES	CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]
InChI	InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1/i24D2,25D2,26D2,27D2
InChI Key	HPLNQCPCUACXLM-GDWIFBKKSA-N
Melting Point	148-150°C
Solubility	Soluble in DMSO
Appearance	Yellow Solid
Storage	-20°C