BGC > Product Search > alpha-1331852

Molecular Formula: C38H38N6O3S

Molecular Formula: C38H38N6O3S

Description :
A-1331852, a substituted benzothiazole, is a high affinity BH3 mimetic Ligand of BCL protein BCL-XL (Ki ≤ 10 pM). A-1331852 is an orally apoptosis-inducing agent that may have potential as improved cancer therapeutics.

• Molecular Weight :658.81

Molecular Formula :
C38H38N6O3S
Canonical SMILES :
CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=CC=CC(=C7C6)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O
InChI :
1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
InChIKey :
QCQQONWEDCOTBV-UHFFFAOYSA-N
Solubility :
DMSO: ≥ 12 mg/mL
Storage : Store in a cool and dry place (or refer to the Certificate of Analysis).
Synonyms :
3-(1-(((3r,5r,7r)-adamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid; A-1331852; A 1331852; A1331852; ABT-263; ABT-199; ABT 199; ABT199

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