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SML3313

Sigma-Aldrich

PF-07321332

≥95% (HPLC)

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Synonym(s):
Nirmatrelvir, (1R,2S,5S)-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-3-azabicyclo[3.1.0]hexane-2-carboxamide
Empirical Formula (Hill Notation):
C23H32F3N5O4
CAS Number:
2628280-40-8
Molecular Weight:
499.53
UNSPSC Code:
12352200

Quality Level

100

Assay

≥95% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(N[C@H](C#N)C[C@@]1(CCNC1=O)[H])[C@H]2N(C[C@]3([C@@]2(C3(C)C)[H])[H])C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O

Biochem/physiol Actions

Nirmatrelvir is a high efficacy oral antiviral that is active against COVID-19 variants, including omicron. PF-07321332 covalently and reversibly binds to the cysteine 145 residue of the viral 3CLpro (SARS-CoV-2 main protease) catalytic domain to inhibit the SARS-CoV-2 replication cycle ( IC50 ~ 4 nM). Nirmatrelvir poorly affects cathepsin-K (IC50 = 231 nM) with no inhibition towards caspases.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Dafydd R Owen et al.
Science (New York, N.Y.), 374(6575), 1586-1593 (2021-11-03)
The worldwide outbreak of COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a global pandemic. Alongside vaccines, antiviral therapeutics are an important part of the healthcare response to countering the ongoing threat presented by COVID-19. Here
Samantha E Greasley et al.
The Journal of biological chemistry, 298(6), 101972-101972 (2022-04-25)
The COVID-19 pandemic continues to be a public health threat with emerging variants of SARS-CoV-2. Nirmatrelvir (PF-07321332) is a reversible, covalent inhibitor targeting the main protease (Mpro) of SARS-CoV-2 and the active protease inhibitor in PAXLOVID (nirmatrelvir tablets and ritonavir
Laura Vangeel et al.
Antiviral research, 198, 105252-105252 (2022-01-28)
We assessed the in vitro antiviral activity of remdesivir and its parent nucleoside GS-441524, molnupiravir and its parent nucleoside EIDD-1931 and the viral protease inhibitor nirmatrelvir against the ancestral SARS-CoV2 strain and the five variants of concern including Omicron. VeroE6-GFP
Raymond K Hau et al.
Clinical and translational science, 15(7), 1599-1605 (2022-05-05)
The ongoing pandemic of severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) and subsequently, coronavirus disease 2019 (COVID-19), has led to the deaths of over 6.1 million people and sparked a greater interest in virology to expedite the development process for antivirals. The

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