AA-115

• CAT Number: I000330
• CAS Number: 1818393-16-6
• Molecular Formula: C34H38Cl2FN3O4
• Molecular Weight: 642.59
• Purity: ≥95%
• Synonyms: AA-115; AA 115; AA115; APG 115; APG115; APG-115.;4-((3/’R,4/’S,5/’R)-6/’/’-chloro-4/’-(3-chloro-2-fluorophenyl)-1/’-ethyl-2/’/’-oxodispiro[cyclohexane-1,2/’-pyrrolidine-3/’,3/’/’-indoline]-5/’-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid
• Target: MDM-2/p53; E1/E2/E3 Enzyme; Apoptosis
• Solubility: Soluble in DMSO
• Storage: Store at -20°C
• InChI: InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
• InChIKey: YJCZPJQGFSSFOL-MNZPCBJKSA-N
• SMILES: CCN1C(C(C2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O

AA-115（Cat No.:I000330）, also known as APG-115, is a highly potent, chemically stable, and efficacious MDM2 inhibitor, which has entered clinical development for cancer treatment. AA-115 has a very high affinity to MDM2 (Ki < 1 nM), potent cellular activity, and an excellent oral pharmacokinetic profile.

Reference

1:J Med Chem. 2017 Apr 13;60(7):2819-2839. doi: 10.1021/acs.jmedchem.6b01665. Epub 2017 Mar 24. Discovery of 4-((3/’R,4/’S,5/’R)-6″-Chloro-4/’-(3-chloro-2-fluorophenyl)-1/’-ethyl-2″-oxodispiro[cyclohexane-1,2/’-pyrrolidine-3/’,3″-indoline]-5/’-carboxamido)bicyclo[2.2.2]octane-1-carboxylic Acid (AA-115/APG-115): A Potent and Orally Active Murine Double Minute 2 (MDM2) Inhibitor in Clinical Development.Aguilar A,Lu J,Liu L,Du D,Bernard D,McEachern D,Przybranowski S,Li X,Luo R,Wen B,Sun D,Wang H,Wen J,Wang G,Zhai Y,Guo M,Yang D,Wang S, PMID: 28339198 PMCID: PMC5394527 DOI: 10.1021/acs.jmedchem.6b01665 Abstract: We previously reported the design of spirooxindoles with two identical substituents at the carbon-2 of the pyrrolidine core as potent MDM2 inhibitors. In this paper we describe an extensive structure-activity relationship study of this class of MDM2 inhibitors, which led to the discovery of 60 (AA-115/APG-115). Compound 60 has a very high affinity to MDM2 (Ki < 1 nM), potent cellular activity, and an excellent oral pharmacokinetic profile. Compound 60 is capable of achieving complete and long-lasting tumor regression in vivo and is currently in phase I clinical trials for cancer treatment.