(S,R,S)-AHPC-isobutyl acetate-methanesulfonothioate-Me-C10-NH2 TFA

• CAT Number: I041424
• Molecular Formula: C40H60F3N5O10S3
• Molecular Weight: 924.12
• Purity: ≥95%
• Synonyms: [(3R,5S)-1-[(2S)-2-(11-aminoundecanoylamino)-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] [(2R)-2-methylsulfonylsulfanylpropyl] carbonate;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C38H59N5O8S3.C2HF3O2/c1-26(53-54(6,48)49)24-50-37(47)51-30-21-31(35(45)40-22-28-16-18-29(19-17-28)33-27(2)41-25-52-33)43(23-30)36(46)34(38(3,4)5)42-32(44)15-13-11-9-7-8-10-12-14-20-39;3-2(4,5)1(6)7/h16-19,25-26,30-31,34H,7-15,20-24,39H2,1-6H3,(H,40,45)(H,42,44);(H,6,7)/t26-,30-,31+,34-;/m1./s1
• InChIKey: WHRWXZCILWJGRB-YBHWEHOVSA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCN)OC(=O)OCC(C)SS(=O)(=O)C.C(=O)(C(F)(F)F)O

(S,R,S)-AHPC-isobutyl acetate-methanesulfonothioate-Me-C10-NH2 TFA is a part of
PROTAC BRD4 Degrader-12 (HY-138635)[1].

Reference

[1]. Dragovich PS, et al. Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J Med Chem. 2021 Mar 11;64(5):2576-2607.
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