Nirmatrelvir

cas: 2628280-40-8 — see every product listed under this CAS number, including other names

Nirmatrelvir (CAS 2628280-40-8) is a chemical reagent available from Chemat. Available pack sizes: on request, 1x10mg. Offered by: Chemat Brand, HPC Standards.

brandChemat Brand
catalog numberULN148001
cas2628280-40-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Available pack sizes

brand size price
Chemat Brand on request price on request
HPC Standards 1x10mg 649.64 Pln

properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC23H32F3N5O4
Molecular weight499.5 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
InChIKeyLIENCHBZNNMNKG-OJFNHCPVSA-N
SMILESCC1([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)

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