MI-1061 TFA

• CAT Number: I044350
• CAS Number: 1410737-35-7
• Molecular Formula: C32H27Cl2F4N3O6
• Molecular Weight: 696.47
• Purity: ≥95%
• InChI: InChI=1S/C30H26Cl2FN3O4.C2HF3O2/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39;3-2(4,5)1(6)7/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39);(H,6,7)/t23-,25+,30+;/m0./s1
• InChIKey: YVEFTHDIYIEZGS-FLLZXHAKSA-N
• SMILES: C1CCC2(CC1)C3(C(C(N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O.C(=O)(C(F)(F)F)O

MI-1061 TFA is a potent, orally bioavailable, and chemically stable MDM2 (MDM2-p53 interaction) inhibitor (IC50=4.4 nM; Ki=0.16 nM). MI-1061 TFA potently activates p53 and induces apoptosis in the SJSA-1 xenograft tumor tissue in mice. Anti-tumor activity[1].
MI-1061 achieves IC50=100 and 250 nM in the SJSA-1 and HCT-116 p53+/+ cell lines, respectively, and has IC50>10000 nM in the p53 knockout cell line HCT-116 p53–/–cell line[1].
MI-1061 (100 mg/kg; p.o.; daily for 14 days) is capable of achieving tumor regression in the SJSA-1 xenograft tumor model in mice[1].

Reference

[1]. Aguilar A, et al. Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles. J Med Chem. 2014;57(24):10486-10498.
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