AT-406

AT-406 is an orally bioavailable Smac/DIABLO mimetic and antagonist of the inhibitor of apoptosis proteins (IAPs). It binds to XIAP, cIAP1, and cIAP2 proteins with Ki values of 66.4, 1.9, and 5.1 nM, respectively. It has been shown to inhibit cancer cell growth in various human cancer cell lines and to induce apoptosis in xenograft tumors in mice.Formal Name: (5S,8S,10aR)-N-(diphenylmethyl)decahydro-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxo-pyrrolo[1,2-a][1,5]diazocine-8-carboxamide. CAS Number: 1071992-99-8. Synonyms: SM-406. Molecular Formula: C32H43N5O4. Formula Weight: 561.7. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 12 mg/ml, DMSO: 25 mg/ml, DMSO:PBS(pH 7.2) (1:2): 0.33 mg/ml, Ethanol: 20 mg/ml. SMILES: O=C(NC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3N4C([C@@H](NC([C@@H](NC)C)=O)CN(C(CC(C)C)=O)CC[C@@]4([H])CC3)=O. InChi Code: InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1. InChi Key: LSXUTRRVVSPWDZ-MKKUMYSQSA-N.