For research use only. Not for therapeutic Use.
(S,R,S)-AHPC-isobutyl acetate-methanesulfonothioate-Me-C10-NH2 TFA（Cat No.:I041424）is a complex synthetic compound used in chemical and pharmaceutical research. It consists of a chiral AHPC (aminomethylpyrimidine) structure with an isobutyl acetate group and a methanesulfonothioate moiety, along with a C10 alkyl chain and an amine group. The trifluoroacetate (TFA) salt form enhances stability and solubility for research applications. This compound is primarily studied for its potential role in enzyme inhibition, drug delivery systems, or as a tool in biochemical assays. Its precise mechanism and therapeutic potential are under investigation in various preclinical studies.
| 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 |
| Molecular Formula | C40H60F3N5O10S3 |
| Purity | ≥95% |
| IUPAC Name | [(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)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCN)OC(=O)OC[C@@H](C)SS(=O)(=O)C.C(=O)(C(F)(F)F)O |
