A-1331852

A-1331852 is an orally bioavailable Bcl-xL inhibitor that selectively binds Bcl-xL over Bcl-2, Mcl-1, and Bcl-W (Kis = in vitro (EC50s = 6 and >5,000 nM, respectively). A-1331852 (25 mg/kg twice per day) inhibits tumor growth in a MOLT-4 mouse xenograft model. It also inhibits tumor growth and increases the antitumor activity of docetaxel (Cay-11637) in MDA-MB-231 LC3 metastatic breast cancer and NCI-H1650 non-small cell lung cancer mouse xenograft models when administered at a dose of 25 mg/kg. A-1331852 also increases venetoclax inhibition of tumor growth in an NCI-H1963.FP5 small cell lung cancer mouse xenograft model.Formal Name: 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid. CAS Number: 1430844-80-6. Molecular Formula: C38H38N6O3S. Formula Weight: 658.8. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 5 mg/ml, DMF:PBS (pH 7.2) (1:3): 0.25 mg/ml, DMSO: 2 mg/ml. lambdamax: 210, 276 nm. SMILES: O=C(O)C1=NC(N2CCC3=CC=CC(C(NC4=NC5=C(C=CC=C5)S4)=O)=C3C2)=CC=C1C6=C(C)N(CC7(C[C@H]8C9)C[C@H]9C[C@H](C8)C7)N=C6. InChi Code: 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)/t23-,24+,25-,38?. InChi Key: QCQQONWEDCOTBV-JLFAVICQSA-N.