For research use only. Not for therapeutic Use.
Simnotrelvir(CAT: I040897) is an antiviral compound designed to inhibit the activity of the main protease (Mpro) of the SARS-CoV-2 virus, which is critical for viral replication. By blocking the enzymatic activity of Mpro, Simnotrelvir prevents the processing of viral polyproteins, thereby hindering the virus’s ability to replicate within host cells. This makes it a promising candidate for the treatment of COVID-19, as well as potentially other coronaviruses. Simnotrelvir can be used in research aimed at developing antiviral therapies for infectious diseases, specifically in the area of Infection Disease Research, targeting viral replication mechanisms.
| CAS Number | 2920904-06-7 |
| Synonyms | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| Molecular Formula | C22H30F3N5O4S2 |
| Purity | ≥95% |
| IUPAC Name | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| InChI | InChI=1S/C22H30F3N5O4S2/c1-20(2,3)15(29-19(34)22(23,24)25)18(33)30-11-21(35-6-7-36-21)9-14(30)17(32)28-13(10-26)8-12-4-5-27-16(12)31/h12-15H,4-9,11H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t12-,13-,14-,15+/m0/s1 |
| InChIKey | LQBRGTAIBBFUJJ-ZQDZILKHSA-N |
| SMILES | CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F |
