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PF-00835231

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Catalog No. T9458Cas No. 870153-29-0

PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is the active compound of the first anti-3CLpro regimen in clinical trials.

PF-00835231

PF-00835231

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Purity: 97.83%
Catalog No. T9458Cas No. 870153-29-0
PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is the active compound of the first anti-3CLpro regimen in clinical trials.
Pack SizePriceUSA WarehouseGlobal WarehouseQuantity
1 mg$52In StockIn Stock
2 mg$74In StockIn Stock
5 mg$123In StockIn Stock
10 mg$197In StockIn Stock
25 mg$357In StockIn Stock
50 mg$536In StockIn Stock
100 mg$788In StockIn Stock
200 mg$1,090In StockIn Stock
1 mL x 10 mM (in DMSO)$135In StockIn Stock
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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]
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Purity:97.83%
Appearance:Solid
Color:White
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Product Introduction

PF-00835231 AI Summary
PF-00835231 exhibits potent antiviral properties, particularly as an inhibitor of the 3CL protease of SARS-CoV-2 with an IC50 of 0.27 nM. It also effectively inhibits the 3CL protease of SARS coronavirus 1 with an IC50 of 4.0 nM and the protease of Human coronavirus 229E with an IC50 of 4.0 nM. For antiviral activity against infected cells, it demonstrates selective inhibition against Human coronavirus 229E in human MRC5 cells (EC50 of 9.0 nM) and against SARS-CoV-2 in Vero E6 cells (EC50 of 230.0 nM). The compound shows a relatively high EC50 of 4800.0 nM and 1100.0 nM against SARS COV-1 in monkey Vero 76 cells and low cytotoxicity (CC50 of 452,000.0 nM) in African green monkey Vero 76 cells, indicating a favorable therapeutic index. PF-00835231's diverse antiviral effects extend to other coronaviruses and human proteases such as Cathepsin L and B, with IC50 values of 146.0 nM and 1300.0 nM, respectively, demonstrating its broad-spectrum potential against viral pathogens..
Note: Summary generated by AI. Data source: ChEMBL
Bioactivity
Description
PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is the active compound of the first anti-3CLpro regimen in clinical trials.
Targets&IC50
3CLpro (SARS CoV-2):4 nM, 3CLpro (SARS CoV-1):0.27 nM
Chemical Properties
Molecular Weight472.53
FormulaC24H32N4O6
Cas No.870153-29-0
SmilesCOc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Relative Density.1.264 g/cm3 (Predicted)
Storage & Solubility Information
StoragePowder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Solubility Information
DMSO: 250 mg/mL (529.07 mM), Sonication is recommended.
In Vivo Formulation
10% DMSO+40% PEG300+5% Tween 80+45% Saline: 5 mg/mL (10.58 mM), Sonication is recommended.
Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.
Solution Preparation Table
DMSO
1mg5mg10mg50mg
1 mM2.1163 mL10.5813 mL21.1627 mL105.8134 mL
5 mM0.4233 mL2.1163 mL4.2325 mL21.1627 mL
10 mM0.2116 mL1.0581 mL2.1163 mL10.5813 mL
20 mM0.1058 mL0.5291 mL1.0581 mL5.2907 mL
50 mM0.0423 mL0.2116 mL0.4233 mL2.1163 mL
100 mM0.0212 mL0.1058 mL0.2116 mL1.0581 mL

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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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