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Nirmatrelvir (PF-07321332) SARS-CoV inhibitor

Name: Nirmatrelvir (PF-07321332)
Brand: Selleck Chemicals
SKU: S9866
Rating: 5 (15 reviews)

Cat.No.S9866

Nirmatrelvir (PF-07321332) is a reversible covalent inhibitor of SARS-CoV-2 main protease (M^pro, also referred to as 3CL protease) with a Ki of 3.11 nM. It binds directly to the catalytic cysteine (Cys145) residue of the enzyme.

Chemical Structure

Molecular Weight: 499.53

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Quality Control

Batch: Purity: 99.99%

99.99

Related Targets	Integrase Bacterial Antibiotics Anti-infection Fungal Antiviral COVID-19 Parasite Reverse Transcriptase HIV
Other SARS-CoV Inhibitors	Molnupiravir (EIDD-2801) EIDD-1931 (NHC) Paquinimod (ABR-215757) Ensitrelvir fumarate Simnotrelvir ML188 XP-59 Bemnifosbuvir Hemisulfate (AT-527) Lufotrelvir (PF-07304814) TC-067533

Chemical Information, Storage & Stability

Molecular Weight	499.53	Formula	C₂₃H₃₂F₃N₅O₄	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	2628280-40-8	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(=O)NC(CC3CCNC3=O)C#N)C2(C)C

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (200.18 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 100 mg/mL

Water : 2 mg/mL

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	SARS-CoV-2 Mpro 3.11 nM(ki)
In vitro	Nirmatrelvir (PF-07321332) is a reversible covalent inhibitor of SARS-CoV-2 main protease (M^pro, also known as 3CL protease), with a Ki of 3.11 nM. This compound directly binds to the catalytic cysteine (Cys145) residue of the enzyme.
Kinase Assay	Enzyme kinetics assay
Kinase Assay	Test compounds and SARS-CoV-2 Mpro enzyme were incubated at a 1:1 molar ratio of 2 μM Nirmatrelvir (PF-07321332) and 2 μM enzyme in assay buffer for 20 minutes. The mixture was then diluted 50-fold into assay buffer followed by a transfer of 5 μl to wells of a black low volume 384-well assay plate. Enzyme activity was monitored on a BMG Pherastar at Ex/Em of 340 nm/460 nm after addition of 5 μl 60 μM peptide substrate. Final reaction conditions were 20 nM enzyme with 20 nM of this compound and 30 μM peptide substrate.
References	[1] https://pubmed.ncbi.nlm.nih.gov/34726479/ [2] https://pubmed.ncbi.nlm.nih.gov/35598779/ [3] https://pubmed.ncbi.nlm.nih.gov/36209984/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05487040	Terminated	COVID-19	Pfizer	September 7 2022	Phase 1
NCT05339334	Completed	Healthy Participants	Pfizer	March 10 2022	Phase 1
NCT05263921	Completed	Bioavailability	Pfizer	March 10 2022	Phase 1
NCT05129475	Completed	Healthy Participants	Pfizer	November 12 2021	Phase 1

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