ASTX660

ASTX660 is an inhibitor of inhibitor of apoptosis (IAP) protein-peptide interactions. It inhibits the protein-peptide interaction between the IAP1 and XIAP BIR3 domains with a Smac-derived peptide in cell-free assays (IC50s = 50 = 2.8 nM) and induces displacement of Smac from XIAP in A375 melanoma cells. It induces apoptosis in MDA-MB-231, A375, and SK-MEL-28 cells in a TNF-alpha-dependent manner. In vivo, ASTX660 (20 mg/kg) reduces tumor growth in MDA-MB-231 breast cancer and A375 melanoma mouse xenograft models.Formal Name: 1-[6-[(4-fluorophenyl)methyl]-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methyl-4-morpholinyl]methyl]-1-piperazinyl]-ethanone. CAS Number: 1799328-86-1. Synonyms: Tolinapant. Molecular Formula: C30H42FN5O3. Formula Weight: 539.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble. lambdamax: 258, 301 nm. SMILES: C[C@H](COCC1)N1C[C@@H](CN[C@@H](C2)C)N2CC(N3C4=CC(CC5=CC=C(C=C5)F)=C(CO)N=C4C(C)(C3)C)=O. InChi Code: InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1. InChi Key: YCXOHEXZVKOGEV-DNRQZRRGSA-N.