| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
EC50: 16.77 μM (SARS-CoV-2)[1]
Mpro inhibitor N3 targets the main protease (Mpro/3CLpro) of coronaviruses. Mpro is a cysteine protease essential for viral replication, responsible for processing the viral polyprotein into functional non-structural proteins. N3 acts as a covalent inhibitor, binding to the active site cysteine residue (Cys145 in SARS-CoV-2) to irreversibly inactivate the enzyme. |
|---|---|
| ln Vitro |
Mpro inhibitor N3 specifically inhibits Mpro from multiple coronaviruses. It inhibits HCoV-229E (human coronavirus 229E), FIPV (feline infectious peritonitis virus), and MHV-A59 (mouse hepatitis virus) with IC50 values of 4.0 microM, 8.8 microM, and 2.7 microM, respectively. It is also a potent SARS-CoV-2 Mpro inhibitor with an EC50 of 16.77 microM in cell-based antiviral assays. N3 can penetrate cells and inhibit IBV virus replication, likely at the beginning of infection.
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| ln Vivo |
Mpro inhibitor N3 hemihydrate (0-0.64 μM) has the ability to enter cells and stop the IBV virus from replicating, maybe at the initial phases of embryonic infection [3].
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| Enzyme Assay |
A standard in vitro Mpro enzyme inhibition assay involves incubating recombinant SARS-CoV-2 Mpro (10-100 nM) with a fluorogenic peptide substrate (e.g., MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2, 10-20 microM) in assay buffer (50 mM Tris-HCl, pH 7.3, 1 mM EDTA, 150 mM NaCl, 1 mM DTT) with varying concentrations of Mpro inhibitor N3 (0.001-100 microM) at 30degC. The reaction is initiated by adding substrate, and fluorescence (excitation 320 nm, emission 405 nm) is measured continuously for 30-60 minutes. IC50 values are calculated from the initial reaction rates.
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| Cell Assay |
A standard cellular antiviral assay involves infecting Vero E6 cells (or other susceptible cell lines) with SARS-CoV-2 at a multiplicity of infection (MOI) of 0.01-0.1 in the presence of varying concentrations of Mpro inhibitor N3 (0.1-100 microM). After 24-48 hours of incubation, viral replication is assessed by quantifying viral RNA by RT-qPCR, measuring cytopathic effect (CPE), or using a plaque reduction assay. The EC50 for SARS-CoV-2 is 16.77 microM.
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| Animal Protocol |
Not available. For in vivo evaluation in a mouse-adapted SARS-CoV-2 or coronavirus infection model, Mpro inhibitor N3 (e.g., 10-100 mg/kg) would be administered by intraperitoneal or oral administration starting 1-2 hours before viral challenge and continuing daily for 4-7 days. Endpoints include survival rate, body weight change, viral load in lung tissue (by plaque assay or RT-qPCR), and lung histopathology. No specific in vivo data is provided in the literature.
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| ADME/Pharmacokinetics |
Mpro inhibitor N3 hemihydrate has a molecular weight of approximately 714.8 g/mol (hemihydrate form) or 698.81 g/mol (anhydrous). The compound is a solid (white to off-white) with purity ≥98%. For in vitro use, it is soluble in DMSO to prepare stock solutions. For in vivo studies, it can be formulated in co-solvent systems such as 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline or in 0.5% methylcellulose. Storage: powder at -20degC for up to 3 years, solution at -80degC for 6 months.
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| Toxicity/Toxicokinetics |
No specific toxicological data for Mpro inhibitor N3 is available. As a covalent inhibitor targeting a viral protease, its toxicity profile is expected to be influenced by off-target interactions with host cysteine proteases. In cell-based assays, it is generally tolerated at effective concentrations (1-50 microM). Comprehensive preclinical toxicology studies have not been published for this research compound.
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| References | |
| Additional Infomation |
Mpro inhibitor N3 hemihydrate is a research-grade antiviral tool compound. It was originally developed as a broad-spectrum coronavirus inhibitor and was used in structural biology studies to determine the crystal structure of SARS-CoV-2 Mpro bound to N3 (PDB ID: 6LU7), which facilitated the development of COVID-19 antiviral drugs. It has not been approved for human use. This product is strictly for laboratory research in virology and drug discovery.
|
| Molecular Formula |
C35H50N6O9
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|---|---|
| Molecular Weight |
698.81
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| Related CAS # |
cas884650-98-0;Mpro inhibitor N3
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| Appearance |
White to off-white solid powder
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4310 mL | 7.1550 mL | 14.3100 mL | |
| 5 mM | 0.2862 mL | 1.4310 mL | 2.8620 mL | |
| 10 mM | 0.1431 mL | 0.7155 mL | 1.4310 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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