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Product Overview

Product Code

TRC-A112502

CAS Number

1217620-38-6

Product Format

Neat

Molecular Formula

C47H47D8ClF3N5O6S3

Molecular Weight

982.66

API Family

ABT 263

Product Categories

TRC, Chiral Molecules , Enzyme inhibitors, API Reference Standards & Research Materials, Enzyme inhibitors, Additional Cancer Bioactive Molecules, Stable isotopes, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule, API

Unlabelled CAS Number

923564-51-6

Documentation

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Product Information

Chemical Data

Analyte Name

ABT 263-d8

CAS Number

1217620-38-6

Molecular Formula

C47H47D8ClF3N5O6S3

Molecular Weight

982.66

SMILES

O=C(NS(C1=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC2=CC=CC=C2)CCN3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])C=C1)(=O)=O)C(C=C4)=CC=C4N(CC5)CCN5CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6

InChI

InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1/i26D2,27D2,28D2,29D2

IUPAC

4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

Unlabelled CAS Number

923564-51-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

ABT 263

Product Description

A novel inhibitor of antiapoptotic BCL-2 proteins

References: Adams, J., et al.: Science, 281, 1322 (1998),

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