(S,R,S)-AHPC-3-methylbutanyl acetate-methanesulfonothioate-PEG3-NH2 TFA

• CAT Number: I042498
• CAS Number: 2417370-48-8
• Molecular Formula: C38H56F3N5O13S3
• Molecular Weight: 944.07
• Purity: ≥95%
• Synonyms: [(3R,5S)-1-[(2S)-2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-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/C36H55N5O11S3.C2HF3O2/c1-23-31(53-22-39-23)27-10-8-26(9-11-27)19-38-33(43)29-18-28(52-35(45)51-24(2)25(3)54-55(7,46)47)20-41(29)34(44)32(36(4,5)6)40-30(42)21-50-17-16-49-15-14-48-13-12-37;3-2(4,5)1(6)7/h8-11,22,24-25,28-29,32H,12-21,37H2,1-7H3,(H,38,43)(H,40,42);(H,6,7)/t24?,25?,28-,29+,32-;/m1./s1
• InChIKey: CLEZKFFRUUBANA-WARMXROESA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCN)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-PEG3-NH2 TFA is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based ligand and 3-unit PEG linker 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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