A-1155463

• CAT Number: I000937
• CAS Number: 1235034-55-5
• Molecular Formula: C₃₅H₃₂FN₅O₄S₂
• Molecular Weight: 669.79
• Purity: ≥95%
• Synonyms: 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-(3-(dimethylamino)prop-1-yn-1-yl)-2-fluorophenoxy)propyl)thiazole-4-carboxylic acid
• Target: Bcl-2 Family
• Solubility: DMSO: ≥ 31 mg/mL
• Storage: Store at -20°C
• IC50: ＜0.01 nM (Ki) [1]
• IUPAC Name: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid
• InChI: InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
• InChIKey: SOYCFODXNRVBTI-UHFFFAOYSA-N
• SMILES: CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=CC=CC(=C4C3)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F

A-1155463（Cat No.:I000937） is a potent and selective inhibitor of B-cell lymphoma-extra large (BCL-XL), which plays a key role in regulating apoptosis or programmed cell death. The drug binds to BCL-XL with high affinity at the picomolar level and exhibits more than 1000 times weaker binding affinity to BCL-2, BCL-W (Ki=19nM), and MCL-1 (Ki>440nM). The selective inhibition of BCL-XL by A-1155463 induces apoptosis in cancer cells and has shown promising anti-tumor activity in preclinical studies.

Reference

[1]. Tao ZF, et al. Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity. ACS Med Chem Lett. 2014 Aug 26;5(10):1088-93.
[2]. Zhang H, et al. Genomic analysis and selective small molecule inhibition identifies BCL-X(L) as a critical survival factor in a subset of colorectal cancer. Mol Cancer. 2015 Jul 2;14:126.