3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, (1R,2S,5S)-, 97%, 97%

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

3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, (1R,2S,5S)-, 97%, 97% (CAS 2628280-40-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 1g, 5g, 10g. Offered by: Chemat.

brandChemat
catalog numberCh12V8G9-100mg
cas2628280-40-8
size100mg
availability 14.75g
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Available pack sizes

brand size price
Chemat 100mg 146.00 Pln
Chemat 250mg 184.40 Pln
Chemat 1g 227.60 Pln
Chemat 5g 611.60 Pln
Chemat 10g 1096.40 Pln

properties

purity97%
delivery time3 weeks
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)

Synonyms: Nirmatrelvir, Paxlovid, PAXLOVID COMPONENT NIRMATRELVIR, NIRMATRELVIR COMPONENT OF PAXLOVID, SARS-CoV-2 3CLpro Inhibitor PF-07321332, SARS-CoV-2-3CL Protease Inhibitor PF-07321332, Nirmatrelvir [USAN], Paxlovid-d9, Boceprevir Impurity 5, Nirmatrelvir (Standard)
Related forms of this compound
(1R,2S,5S)-N-[(1R)-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 C23H32F3N5O4
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6,6-dimethyl-3-[(2S)-4,4,4-trideuterio-3,3-bis(trideuteriomethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide C23H32F3N5O4
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-5,5-dideuterio-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 C23H32F3N5O4

Also listed as

Nirmatrelvir Chemat Brand CAS 2628280-40-8
PF–07321332 GLPBio CAS 2628280-40-8
Nirmatrelvir/ 99.51% (existing batch purity) TargetMol CAS 2628280-40-8
Paxlovid Biosynth CAS 2628280-40-8
Nirmatrelvir, Concentration: 100 µg/ml Solvent: Methanol HPC Standards CAS 2628280-40-8
Nirmatrelvir, 99.83% MedChemExpress CAS 2628280-40-8
Nirmatrelvir (Standard), 99.98% MedChemExpress CAS 2628280-40-8
PF-07321332, 98% Ambeed CAS 2628280-40-8