| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
3CLpro
PF-00835231 targets the SARS-CoV-2 main protease (3CLpro or Mpro), a cysteine protease essential for viral replication. The compound is a potent inhibitor of CoV-2 cysteine 3C-like protease (3CLpro) with an IC50 of 0.27 nM for SARS CoV-2 and 4 nM for SARS CoV-1 3CLpro. By inhibiting 3CLpro, PF-00835231 blocks the cleavage of viral polyproteins, preventing the formation of the viral replication complex. |
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| ln Vitro |
In vitro, PF-00835231 inhibits SARS CoV-2 3CLpro with an IC50 of 0.27 nM. It inhibits SARS CoV-1 3CLpro with an IC50 of 4 nM. The compound exhibits potent in vitro antiviral activity. PF-00835231 is a 3CLpro (Mpro) inhibitor that may target SARS-CoV-2 protease 3CLpro as a potential new treatment for COVID-19.
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| ln Vivo |
In vivo activity data for PF-00835231 are not extensively detailed in the available sources. The compound is being investigated as a potential treatment for COVID-19. The prodrug PF-07304814, which is cleaved to release PF-00835231, has been evaluated in clinical settings. Specific in vivo efficacy data in animal models have not been reported in the supplier documentation.
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| Enzyme Assay |
The in vitro enzyme assay for PF-00835231 involves measuring the inhibition of SARS-CoV-2 3CLpro enzymatic activity. Recombinant 3CLpro is incubated with a fluorogenic substrate (e.g., a peptide substrate with a fluorescent reporter) in the presence of varying concentrations of the compound. The IC50 values of 0.27 nM for SARS CoV-2 and 4 nM for SARS CoV-1 are determined from dose-response curves.
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| Cell Assay |
Cellular assays for PF-00835231 are performed using SARS-CoV-2-infected cells. Cells are infected with the virus and treated with PF-00835231 at various concentrations. Viral replication is assessed by measuring viral RNA by RT-qPCR or by plaque assays. The compound's antiviral activity is determined by calculating EC50 values from dose-response curves.
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| Animal Protocol |
In vivo animal studies for PF-00835231 are not detailed in the available sources. The compound is a research tool for studying SARS-CoV-2 3CLpro inhibition. The prodrug PF-07304814 has been evaluated in clinical settings for the treatment of COVID-19. Specific animal models and dosing regimens have not been described in the supplier documentation.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PF-00835231 are not available in the provided sources. The compound has a molecular weight of 472.53 g/mol and a molecular formula of C24H32N4O6. It is a primary alcohol that results from the cleavage of the phosphate group of the prodrug PF-07304814. The compound is available with a purity of ≥95%.
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| Toxicity/Toxicokinetics |
Toxicity data for PF-00835231 are not reported in the available sources. As a research compound, it is not intended for therapeutic use. The compound has been evaluated in preclinical studies as a potential treatment for COVID-19. Specific toxicological profiles have not been characterized in the supplier documentation.
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| References |
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| Additional Infomation |
PF-00835231 is a primary alcohol derived from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and its -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. It can be used as an anticoronavirus drug, an EC 3.4.22.69 (SARS coronavirus main protease) inhibitor, and a drug metabolite. It is an aromatic ether, L-leucine derivative, indolecarboxamide, pyrrolidone-2-one compound, secondary formamide, and primary alcohol.
PF-00835231 is a research compound for studying SARS-CoV-2 3CLpro inhibition and COVID-19 treatment. It is a potent inhibitor with IC50 values of 0.27 nM for SARS CoV-2 and 4 nM for SARS CoV-1 3CLpro. The compound is the active metabolite of the prodrug PF-07304814. It is available from commercial suppliers for research use only. |
| Molecular Formula |
C24H32N4O6
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|---|---|
| Molecular Weight |
472.534086227417
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| Exact Mass |
472.232
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| Elemental Analysis |
C, 61.00; H, 6.83; N, 11.86; O, 20.31
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| CAS # |
870153-29-0
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| Related CAS # |
870153-29-0 70153-89-2 (racemic);870153-90-5; 870153-91-6;
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| PubChem CID |
11561899
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| Appearance |
White to off-white solid powder
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
34
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| Complexity |
760
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
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| InChi Key |
QDIMHKWNHMVDJB-WBAXXEDZSA-N
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| InChi Code |
InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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| Chemical Name |
N-((S)-1-(((S)-4-hydroxy-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide
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| Synonyms |
PF 00835231; PF-00835231; PF00835231; PF 835231; PF-835231; PF835231;
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~529.07 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.40 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.40 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.40 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 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 |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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