CAS 2628280-40-8 appears in our catalog under these names: Nirmatrelvir, PF–07321332, Nirmatrelvir/ 99.51% (existing batch purity), Paxlovid, PF-07321332 98%. Offered by: Chemat Brand, GLPBio, TargetMol, Biosynth, Ambeed. Available pack sizes: on request, 10mg, 100mg, 5mg, 10mM (in 1ml dmso), 50mg, 1mg, 2mg.
Nirmatrelvir is an azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a secondary carboxamide, a tertiary carboxamide, an azabicyclohexane, a nitrile, an organofluorine compound, a pyrrolidinecarboxamide and a member of pyrrolidin-2-ones.
Source: ChEBI
| Molecular formula | C23H32F3N5O4 |
|---|---|
| Molecular weight | 499.5 g/mol |
| IUPAC name | (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| InChIKey | LIENCHBZNNMNKG-OJFNHCPVSA-N |
| SMILES | CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C |
Computed by PubChem (NCBI)