PF-00835231

Name: PF-00835231
Brand: MedChemExpress
SKU: HY-137048
Rating: 5.0 (2 reviews)

Cat. No.: HY-137048 Purity: 98.23%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

PF-00835231 is a CoV-2 cysteine 3C-like protease (3CL^pro) inhibitor, with IC₅₀s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CL^pro, respectively. PF-00835231 is developed for the research of anti-SARS-CoV-2/COVID-19. PF-00835231 can inhibit cell infections and also suppress infections in animal models.

For research use only. We do not sell to patients.

PF-00835231 Chemical Structure

CAS No. : 870153-29-0

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 165	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 165	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 150	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 240	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1100	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 2 publication(s) in Google Scholar

2 Publications Citing Use of MCE PF-00835231

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HIV HIV-1 HIV-2

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

HIV-1

HRV3C

2.79 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
H1-HeLa	CC₅₀	> 1260 μM Compound: 4; PF-00835231	Cytotoxicity against human H1-HeLa cells assessed as reduction in cell viability measured after 2 to 5 days by XTT assay Cytotoxicity against human H1-HeLa cells assessed as reduction in cell viability measured after 2 to 5 days by XTT assay	[PMID: 33054210]
H9	CC₅₀	> 32 μM Compound: 4; PF-00835231	Cytotoxicity against human H9 cells assessed as reduction in cell viability incubated for 7 days by XTT dye based analysis Cytotoxicity against human H9 cells assessed as reduction in cell viability incubated for 7 days by XTT dye based analysis	[PMID: 33054210]
MRC5	CC₅₀	> 100 μM Compound: 4; PF-00835231	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability after 1 to 5 days by XTT dye based assay Cytotoxicity against human MRC5 cells assessed as reduction in cell viability after 1 to 5 days by XTT dye based assay	[PMID: 33054210]
MRC5	CC₅₀	> 40 μM Compound: 4; PF-00835231	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 4 days by XTT dye based assay Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 4 days by XTT dye based assay	[PMID: 33054210]
Vero 76	CC₅₀	452 μM Compound: 4; PF-00835231	Cytotoxicity against African green monkey Vero 76 cells measured after 66 hrs by neutral red method or cell titer glo-based luminescence assay Cytotoxicity against African green monkey Vero 76 cells measured after 66 hrs by neutral red method or cell titer glo-based luminescence assay	[PMID: 33054210]

In Vitro

PF-00835231 effectively inhibits SARS-CoV-2 USA-WA1/2020, with an EC₅₀ of 0.221 μM after 24 hours and 0.158 μM after 48 hours^[2].
PF-00835231 also inhibits USA/NYU-VC-003/2020, with an EC₅₀ of 0.184 μM after 24 hours^[2].
The IC₅₀ value of PF-00835231 against HIV-1 and HCV protease is greater than 10 μM, but it can inhibit the rhinovirus HRV3C protease with an IC₅₀ of about 2.79 μM, showing strong inhibitory effects and broad-spectrum activity against coronavirus Mp^[3].
PF-00835231 exhibits inhibitory effects against infections of the SARS-CoV-2 Wuhan strain, Washington strain 1, and Belgium/GHB-03021/2020 strain in A549, Calu-1, Vero E6, Vero E6-enACE2 (ACE2-rich Vero E6 kidney cells), and Vero E6-EGFP (Vero E6 cells continuously expressing EGFP), with EC₅₀ values ranging from 24.7 nM to 88900 nM^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PF-00835231 reduces the number of multifocal lung lesions and lung viral load in the SARS-CoV-MA15 infected BALB/c mouse model, being effective both early and late in the viral infection^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

472.53

Formula

C₂₄H₃₂N₄O₆

CAS No.

870153-29-0

Appearance

Solid

Color

White to off-white

SMILES

O=C(C(N1)=CC2=C1C=CC=C2OC)N[C@H](C(N[C@@H](C[C@H]3C(NCC3)=O)C(CO)=O)=O)CC(C)C

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (529.07 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.1163 mL	10.5813 mL	21.1627 mL
5 mM	0.4233 mL	2.1163 mL	4.2325 mL
10 mM	0.2116 mL	1.0581 mL	2.1163 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (4.40 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (4.40 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (4.40 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.23%

Select Batch:

Data Sheet (278 KB) SDS (761 KB)

COA (252 KB) HNMR (302 KB) LCMS (99 KB)

Handling Instructions (2659 KB)

References

[1]. Robert L Hoffman, et al. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Nov 12;63(21):12725-12747. [Content Brief]

[2]. de Vries M, et al. A comparative analysis of SARS-CoV-2 antivirals in human airway models characterizes 3CLpro inhibitor PF-00835231 as a potential new treatment for COVID-19. bioRxiv [Preprint]. 2021 Feb 19:2020.08.28.272880. [Content Brief]

[3]. Wujun Chen, wt al. Review of preclinical data of PF-07304814 and its active metabolite derivatives against SARS-CoV-2 infection. Front Pharmacol. 2022 Nov 11:13:1035969. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.1163 mL	10.5813 mL	21.1627 mL	52.9067 mL
	5 mM	0.4233 mL	2.1163 mL	4.2325 mL	10.5813 mL
	10 mM	0.2116 mL	1.0581 mL	2.1163 mL	5.2907 mL
	15 mM	0.1411 mL	0.7054 mL	1.4108 mL	3.5271 mL
	20 mM	0.1058 mL	0.5291 mL	1.0581 mL	2.6453 mL
	25 mM	0.0847 mL	0.4233 mL	0.8465 mL	2.1163 mL
	30 mM	0.0705 mL	0.3527 mL	0.7054 mL	1.7636 mL
	40 mM	0.0529 mL	0.2645 mL	0.5291 mL	1.3227 mL
	50 mM	0.0423 mL	0.2116 mL	0.4233 mL	1.0581 mL
	60 mM	0.0353 mL	0.1764 mL	0.3527 mL	0.8818 mL
	80 mM	0.0265 mL	0.1323 mL	0.2645 mL	0.6613 mL
	100 mM	0.0212 mL	0.1058 mL	0.2116 mL	0.5291 mL

PF-00835231 Related Classifications

Infection

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

PF-00835231870153-29-0PF00835231PF 00835231SARS-CoVHIVHCVSARS coronavirusHuman immunodeficiency virusHepatitis C virusSARS CoV-2SARS CoV-13CLproCOVID-19Inhibitorinhibitorinhibit

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PF-00835231

Customer Review

PF-00835231 Related Antibodies

2 Publications Citing Use of MCE PF-00835231

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All HIV Isoform Specific Products:

Biological Activity

Purity & Documentation

References

Customer Review

PF-00835231 Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

PF-00835231 Related Classifications

Keywords:

Your Recently Viewed Products:

Customer Review

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