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100mg | ||
250mg | ||
500mg | ||
Other Sizes |
Targets |
IC50: 3.8 nM (3CLpro)[1]. EC50 for SARS-CoV-2 strains: 13.8 nM (α), 7.57 nM (δ), 9.01 nM (Om BA.1) and 17.1 nM (Om BA.2) [1]. EC50: 59.3 nM (SARS-CoV in 293TAT cells); 4.72 nM (MERS-CoV in 293TDPP4 cells); 1.67 nM (HCoV-OC43 in 293TAT cells)[1].
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ln Vitro |
SARS-CoV-2 3CLpro-IN-5 exhibits 3CLpro inhibitory activity with an IC50 value of 3.8 nM[1]. Against different strains of SARS-CoV-2, including α, δ, Om BA.1, and Om BA.2, SARS-CoV-2 3CLpro-IN-5 exhibits antiviral activity in 293TAT cells, with EC50 values of 13.8 nM, 7.57 nM, 9.01 nM, and 17.1 nM, respectively[1]. With EC50 values of 59.3 nM, 4.72 nM, and 1.67 nM, respectively, SARS-CoV-2 3CLpro-IN-5 exhibits antiviral activity against a variety of coronaviruses, including MERS-CoV (293TDPP4 cells), HCoV-OC43 (293TAT cells), and SARS-CoV (293TAT cells)[1].
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ln Vivo |
SARS-CoV-2 3CLpro-IN-5 (oral, iv; 10, 100 mg/kg) possesses favorable pharmacokinetic characteristics and potent antiviral activity[1].
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Animal Protocol |
Animal/Disease Models: mice[1]
Doses: 10, 100 mg/kg Route of Administration: oral (100 mg/kg) and intravenous (iv)(10 mg/kg) administration Experimental Results: demonstrated the plasma concentration was 15.2 μM after 1 h and diminished to 0.40 μM over 6 h after oral administration (100 mg/kg) . demonstrated the plasma concentration reached 9.3 μM after 1 h and diminished to 0.33 μM after 6 h in intravenous (iv)administration (10 mg/kg) . Had approximately 9.0% estimated bioavailability (BA ). |
References |
[1]. Yuya Hirose, et al. Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J Med Chem
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Molecular Formula |
C22H26CLF2N5O4
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Molecular Weight |
497.92
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CAS # |
2913186-57-7
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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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 | 2.0084 mL | 10.0418 mL | 20.0835 mL | |
5 mM | 0.4017 mL | 2.0084 mL | 4.0167 mL | |
10 mM | 0.2008 mL | 1.0042 mL | 2.0084 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.