PF-07321332
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MedKoo CAT#: 555985

CAS#: 2628280-40-8

Description: PF-07321332, also known as Paxlovid, is an orally bioavailable 3C-like protease (3CLPRO) inhibitor. This drug is being investigated for safety, tolerability, and pharmacokinetics before moving on to studies of efficacy in the treatment or prophylaxis of COVID-19. 3CLPRO is responsible for cleaving polyproteins 1a and 1ab of SARS-CoV-2. PF-07321332 is an oral COVID-19 antiviral clinical candidate. By inhibiting the main protease, PF-07321332 prevents the virus from cleaving long protein chains into the parts it needs to reproduce itself.


Chemical Structure

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PF-07321332
CAS# 2628280-40-8

Theoretical Analysis

MedKoo Cat#: 555985
Name: PF-07321332
CAS#: 2628280-40-8
Chemical Formula: C23H32F3N5O4
Exact Mass: 499.2406
Molecular Weight: 499.5352
Elemental Analysis: C, 55.30; H, 6.46; F, 11.41; N, 14.02; O, 12.81

Price and Availability

Size Price Availability Quantity
5.0mg USD 150.0 2 Weeks
10.0mg USD 250.0 2 Weeks
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1350.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 2950.0 2 Weeks
1.0g USD 3850.0 2 Weeks
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Synonym: PF-07321332; PF 07321332; PF07321332; brand name Paxlovid;

IUPAC/Chemical Name: (1R,2S,5S)-N-((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

InChi Key: LIENCHBZNNMNKG-OJFNHCPVSA-N

InChi Code: InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1

SMILES Code: [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Biological target: Targets to the SARS-CoV-2 virus and can be used for COVID-19 reseacrch. IC50: 3CLPRO
In vitro activity: The structural insights provided by SuMD will hopefully be able to inspire the rational discovery of other potent and selective protease inhibitors. Reference: Pavan M, Bolcato G, Bassani D, Sturlese M, Moro S. Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1646-1650. doi: 10.1080/14756366.2021.1954919. PMID: 34289752.
In vivo activity: In addition to high oral bioavailability, stability in plasma and simpler metabolic activation, new oral lipid prodrugs of RVn had submicromolar anti-SARS-CoV-2 activity in a variety of cell types including Vero E6, Calu-3, Caco-2, human pluripotent stem cell (PSC)-derived lung cells and Huh7.5 cells. In Syrian hamsters oral treatment with ODBG-P-RVn was well tolerated and achieved therapeutic levels in plasma above the EC90 for SARS-CoV-2. The results suggest further evaluation as an early oral treatment for SARS-CoV-2 infection to minimize severe disease and reduce hospitalizations. Reference: Schooley RT, Carlin AF, Beadle JR, Valiaeva N, Zhang XQ, Clark AE, McMillan RE, Leibel SL, McVicar RN, Xie J, Garretson AF, Smith VI, Murphy J, Hostetler KY. Rethinking Remdesivir: Synthesis, Antiviral Activity and Pharmacokinetics of Oral Lipid Prodrugs. Antimicrob Agents Chemother. 2021 Jul 26:AAC0115521. doi: 10.1128/AAC.01155-21. Epub ahead of print. PMID: 34310217.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 2.08 4.16

Preparing Stock Solutions

The following data is based on the product molecular weight 499.5352 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Pavan M, Bolcato G, Bassani D, Sturlese M, Moro S. Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1646-1650. doi: 10.1080/14756366.2021.1954919. PMID: 34289752.
In vitro protocol: Pavan M, Bolcato G, Bassani D, Sturlese M, Moro S. Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1646-1650. doi: 10.1080/14756366.2021.1954919. PMID: 34289752.
In vivo protocol: Schooley RT, Carlin AF, Beadle JR, Valiaeva N, Zhang XQ, Clark AE, McMillan RE, Leibel SL, McVicar RN, Xie J, Garretson AF, Smith VI, Murphy J, Hostetler KY. Rethinking Remdesivir: Synthesis, Antiviral Activity and Pharmacokinetics of Oral Lipid Prodrugs. Antimicrob Agents Chemother. 2021 Jul 26:AAC0115521. doi: 10.1128/AAC.01155-21. Epub ahead of print. PMID: 34310217.

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https://cen.acs.org/acs-news/acs-meeting-news/Pfizer-unveils-oral-SARS-CoV/99/i13