(S,R,S)-AHPC-3-methylbutanyl acetate-methanesulfonothioate-Me-C10-NH2 TFA

• CAT Number: I042497
• CAS Number: 2417370-89-7
• Molecular Formula: C41H62F3N5O10S3
• Molecular Weight: 938.15
• 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] 3-methylsulfonylsulfanylbutan-2-yl carbonate;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C39H61N5O8S3.C2HF3O2/c1-26-34(53-25-42-26)30-19-17-29(18-20-30)23-41-36(46)32-22-31(52-38(48)51-27(2)28(3)54-55(7,49)50)24-44(32)37(47)35(39(4,5)6)43-33(45)16-14-12-10-8-9-11-13-15-21-40;3-2(4,5)1(6)7/h17-20,25,27-28,31-32,35H,8-16,21-24,40H2,1-7H3,(H,41,46)(H,43,45);(H,6,7)/t27?,28?,31-,32+,35-;/m1./s1
• InChIKey: YBJISNARARRCQK-STMTXMOVSA-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)OC(C)C(C)SS(=O)(=O)C.C(=O)(C(F)(F)F)O

(S,R,S)-AHPC-3-methylbutanyl acetate-methanesulfonothioate-Me-C10-NH2 TFA is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC ligand, it can be used in PROTAC technology[1].

Reference

[1]. Chan KH, et al. Impact of Target Warhead and Linkage Vector on Inducing Protein Degradation: Comparison of Bromodomain and Extra-Terminal (BET) Degraders Derived from Triazolodiazepine (JQ1) and Tetrahydroquinoline (I-BET726) BET Inhibitor Scaffolds. J Med Chem. 2018 Jan 25;61(2):504-513.
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