MS15 TFA

• CAT Number: I040825
• Molecular Formula: C66H80F3N11O7S
• Molecular Weight: 1228.47
• Purity: ≥95%
• Synonyms: (2S,4R)-1-[(2S)-2-[11-[3-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]propanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C64H79N11O5S.C2HF3O2/c1-41(44-22-24-45(25-23-44)56-42(2)69-40-81-56)70-61(79)53-38-49(76)39-74(53)62(80)57(63(3,4)5)73-55(78)20-12-10-8-6-7-9-11-13-35-67-54(77)32-21-43-17-14-18-46(37-43)51-30-31-52-60(71-51)75(59(72-52)50-19-15-36-68-58(50)65)48-28-26-47(27-29-48)64(66)33-16-34-64;3-2(4,5)1(6)7/h14-15,17-19,22-31,36-37,40-41,49,53,57,76H,6-13,16,20-21,32-35,38-39,66H2,1-5H3,(H2,65,68)(H,67,77)(H,70,79)(H,73,78);(H,6,7)/t41-,49+,53-,57+;/m0./s1
• InChIKey: BUALJYDLGDPEOM-VMWZINGLSA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)CCC4=CC(=CC=C4)C5=NC6=C(C=C5)N=C(N6C7=CC=C(C=C7)C8(CCC8)N)C9=C(N=CC=C9)N)O.C(=O)(C(F)(F)F)O

MS15 TFA is a potent and selective AKT PROTAC degrader. MS15 TFA inhibits the AKT1, -2, and -3 activities, with IC50 values of 798 nM, 90 nM, and 544 nM, respectively[1].
MS15 (75 mg/kg, IP, once) is bioavailable in mice through intraperitoneal administration[1].

Reference

[1]. Yu X, et al. Novel Allosteric Inhibitor-Derived AKT Proteolysis Targeting Chimeras (PROTACs) Enable Potent and Selective AKT Degradation in KRAS/BRAF Mutant Cells. J Med Chem. 2022 Oct 27;65(20):14237-14260.
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