| ln Vitro |
MR1-114 effectively inhibited purified recombinant SARS-CoV-2 PLpro with an IC50 value of 0.037 μM[1]. MR1-114 (48 hours) showed low cytotoxicity to A549-hACE2 cells with a CC50 value of 34.54 μM[1]. MR1-114 (1-10 μM; 1 hour) effectively inhibited the replication of SARS-CoV-2 WA1 in A549-hACE2 cells, reducing viral load by 1.54 log at a concentration of 1 μM and by 6.41 log at a concentration of 10 μM[1]. MR1-114 (2 h) is a broad-spectrum inhibitor with submicromolar activity against SARS-CoV-2 Delta, Omicron B.1.1.529 and Omicron BA.5 variants in A549-hACE2 cells, with EC50 values of 0.18 μM, 0.39 μM and 0.20 μM, respectively [1].
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|---|---|
| ln Vivo |
MR1-114 (100-150 mg/kg; orally; twice daily for 5 days) prevented disease-related weight loss and reduced viral replication levels in the lungs of K18-ACE2 mice infected with SARS-CoV-2 WA1 [1].
|
| Animal Protocol |
Animal/Disease Models:B6.Cg-Tg(K18-ACE2)2Prlmn/J (female, 6-8 weeks old, intranasal infection with SARS-CoV-2 WA1) [1]
Doses: 100 mg/kg; 150 mg/kg Route of Administration: Oral; twice daily; 5 days Experimental Results: Maintained a percentage of body weight comparable to the sham infection group and the nimatravir treatment group, preventing disease-related weight loss. The 150 mg/kg dose group showed a significant decrease in pulmonary viral titer of approximately 1 log compared to the vector control group, comparable to the effect of nimatravir (1000 mg/kg, twice daily). |
| References |
| Molecular Formula |
C31H35N7O
|
|---|---|
| Molecular Weight |
521.66
|
| Appearance |
Typically exists as solids at room temperature
|
| SMILES |
CC1=CC=C(C=C1C(N[C@@H](C2=CC(C#CC3=CN(N=C3)C)=CC(C4=CN(N=C4)C)=C2)C)=O)N5CCN(CC5)C
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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 | 1.9170 mL | 9.5848 mL | 19.1696 mL | |
| 5 mM | 0.3834 mL | 1.9170 mL | 3.8339 mL | |
| 10 mM | 0.1917 mL | 0.9585 mL | 1.9170 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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