CAY10749

CAY10749 is a dual inhibitor of poly(ADP-ribose) polymerase (PARP) and PI3K (IC50s = 6.03, 3.63, 5.62, and 7.41 nM for PARP1, PARP2, PI3Kalpha, and PI3Kdelta, respectively). It is selective for these enzymes over PI3Kbeta and PI3Kgamma (IC50s = 288.4 and 831.76 nM, respectively), as well as a panel of 374 additional kinases at 1 µM. CAY10749 (1 µM) induces dsDNA break formation in a neutral comet assay and apoptosis in MDA-MB-468 breast cancer cells. It inhibits proliferation of eight cancer cell lines, including pancreatic, ovarian, lymphoma, leukemia, and lung cancer cells, with IC50 values ranging from 398.11 to 2,818.38 nM. CAY10749 (50 mg/kg twice per day) reduces tumor growth by 73.4% in an MDA-MB-468 mouse xenograft model.Formal Name: 4-[[3-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5,8-dihydro-4-(4-morpholinyl)pyrido[3,4-d]pyrimidin-7(6H)-yl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinone. CAS Number: 2337386-47-5. Molecular Formula: C33H28F4N8O3. Formula Weight: 660.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 11mg/mL, DMF:PBS (pH 7.2) (1:2): 0.3mg/mL, DMSO: 10mg/mL. lambdamax: 274 nm. SMILES: O=C1C2=CC=CC=C2C(CC3=CC(C(N4CC5=NC(C6=CN=C(N)C=C6C(F)(F)F)=NC(N7CCOCC7)=C5CC4)=O)=C(F)C=C3)=NN1. InChi Code: InChI=1S/C33H28F4N8O3/c34-25-6-5-18(14-26-19-3-1-2-4-20(19)31(46)43-42-26)13-22(25)32(47)45-8-7-21-27(17-45)40-29(41-30(21)44-9-11-48-12-10-44)23-16-39-28(38)15-24(23)33(35,36)37/h1-6,13,15-16H,7-12,14,17H2,(H2,38,39)(H,43,46). InChi Key: LIQDGVXNWJAUNO-UHFFFAOYSA-N.