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Ensitrelvir fumarate

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Catalog No. T40358Cas No. 2757470-18-9
Alias S-217622 fumarate

Ensitrelvir (S-217622) fumarate is a novel orally active inhibitor targeting the SARS-CoV-2 3CL protease (IC50 = 13 nM), demonstrating non-covalent and non-peptidic characteristics. This compound represents a pioneering advancement in the development of effective antiviral agents against the SARS-CoV-2 virus.

Ensitrelvir fumarate

Ensitrelvir fumarate

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Catalog No. T40358Alias S-217622 fumarateCas No. 2757470-18-9
Ensitrelvir (S-217622) fumarate is a novel orally active inhibitor targeting the SARS-CoV-2 3CL protease (IC50 = 13 nM), demonstrating non-covalent and non-peptidic characteristics. This compound represents a pioneering advancement in the development of effective antiviral agents against the SARS-CoV-2 virus.
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2 mg$535 days5 days
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All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.
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Product Introduction

Bioactivity
Description
Ensitrelvir (S-217622) fumarate is a novel orally active inhibitor targeting the SARS-CoV-2 3CL protease (IC50 = 13 nM), demonstrating non-covalent and non-peptidic characteristics. This compound represents a pioneering advancement in the development of effective antiviral agents against the SARS-CoV-2 virus.
In vitro
In a cytopathic effect (cpe)-inhibition assay on VeroE6/TMPRSS2 cells infected with SARS-CoV-2, Ensitrelvir fumarate demonstrated EC50 values of approximately 0.4 μM for the wild-type virus and the Alpha, Beta, Gamma, and Delta variants, and EC50 values of 0.21 μM and 1.4 μM for SARS-CoV and MERS-CoV, respectively[1].
In vivo
Ensitrelvir fumarate effectively reduces SARS-CoV-2 replication within the lungs of mice in a dose-dependent manner[2].
SynonymsS-217622 fumarate
Chemical Properties
Molecular Weight647.96
FormulaC26H21ClF3N9O6
Cas No.2757470-18-9
SmilesOC(=O)\C=C\C(O)=O.Cn1cnc(Cn2c(=O)[nH]c(=Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1 |w:19.18|
Relative Density.no data available
Storage & Solubility Information
StoragePowder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:
TargetMol | Animal experiments For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent 10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH2O , the resulting working solution concentration would be 2 mg/mL.
Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSOTargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSOTargetMol | reagent stock solution to 400 μL PEG300TargetMol | reagent and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH2OTargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.
All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.
1 Enter information below:
mg/kg
g
μL
2 Enter the in vivo formulation:
% DMSO
%
% Tween 80
% Saline/PBS/ddH2O

Dose Conversion

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Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc

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