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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
SARS-CoV-2-IN-46 targets the viral replication process; reports differ as to whether its primary target is the main protease (Mpro) or the RNA-dependent RNA polymerase (RdRp), which is a critical enzyme for viral RNA synthesis. By binding to and inhibiting this essential viral enzyme, the compound effectively blocks the replication of SARS-CoV-2, thereby halting the spread of the infection in host cells.
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| ln Vitro |
In Calu-3 cells, SARS-CoV-2 replication can be inhibited by more than 50% by SARS-CoV-2-IN-46(Compound 8w)(1-10 μm) [1]. Calu-3 cells demonstrate little toxicity towards SARS-CoV-2-IN-46 (Compound 8w) (250 μm; 72 h) [1].
In vitro, SARS-CoV-2-IN-46 demonstrates potent antiviral activity. It inhibits SARS-CoV-2 replication in Calu-3 cells (a human lung epithelial cell line) with an EC50 of 0.9 microM. At concentrations of 1-10 microM, it inhibits viral replication by over 50%. The compound exhibits low toxicity at 250 microM over 72 hours in the same cell line. |
| ln Vivo |
In vivo activity data for SARS-CoV-2-IN-46 have not been detailed in the provided references. As an inhibitor of viral replication, it would be expected to reduce viral load and improve disease outcomes in animal models of SARS-CoV-2 infection. Further in vivo validation is required to assess its efficacy, pharmacokinetics, and safety profile for potential therapeutic applications.
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| Enzyme Assay |
A typical in vitro enzyme inhibition assay can be used to confirm the mechanism of action. Recombinant SARS-CoV-2 main protease (Mpro) or RNA-dependent RNA polymerase (RdRp) is incubated with a fluorogenic substrate in the presence of increasing concentrations of SARS-CoV-2-IN-46. The reaction is monitored by measuring the increase in fluorescence (ex/em = 340/460 nm). The IC50 value is calculated from the dose-response curve by nonlinear regression, representing the concentration required to inhibit 50% of the enzyme activity.
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| Cell Assay |
The antiviral activity of SARS-CoV-2-IN-46 is assessed in a cell-based viral replication assay. Calu-3 cells are seeded in 96-well plates and infected with SARS-CoV-2 (e.g., MOI of 0.01). The compound is then added at varying concentrations (0.1-100 uM). After 48-72 hours, the viral load in the supernatant is quantified using qRT-PCR (to measure viral RNA copy number) or a plaque assay (to measure infectious viral titer). The EC50 (0.9 microM) is the concentration required to inhibit 50% of viral replication. Cell viability is measured via the MTT assay to calculate the CC50 and determine the selectivity index.
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| Animal Protocol |
SARS-CoV-2-IN-46 can be tested in a mouse model of SARS-CoV-2 infection using humanized ACE2 (hACE2) transgenic mice. Animals are inoculated intranasally with a lethal dose of SARS-CoV-2. The compound (e.g., 10-50 mg/kg) is administered orally or intraperitoneally daily for 5-7 days. Survival, body weight, and clinical scores are monitored daily. Viral loads in lung homogenates are measured by qRT-PCR. Lung pathology is assessed by H&E staining to evaluate inflammation and damage.
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| ADME/Pharmacokinetics |
SARS-CoV-2-IN-46 has a molecular weight of 318.27 and a molecular formula of C17H12F2O4. The powder should be stored at -20degC for up to 3 years. In solvent, it is stable for 6 months at -80degC. The compound is soluble in DMSO. The available search results do not provide detailed pharmacokinetic parameters. For in vivo use, it would require formulation in a vehicle such as 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline.
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| Toxicity/Toxicokinetics |
In vitro toxicity studies show that SARS-CoV-2-IN-46 exhibits low toxicity in Calu-3 cells, with no apparent cytotoxic effects at concentrations up to 250 microM for 72 hours. Further in vivo toxicological studies, including acute and sub-chronic dosing, genotoxicity, and cardiotoxicity assessments, have not been reported. Standard safety precautions for handling research chemicals should be followed.
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| References |
[1]. Caleffi GS, et al. Aurones: A Promising Scaffold to Inhibit SARS-CoV-2 Replication. J Nat Prod. 2023 Jun 23;86(6):1536-1549.
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| Additional Infomation |
SARS-CoV-2-IN-46 is a research-grade compound and is not approved for clinical use. It is a novel coronavirus replication inhibitor with a reported EC50 of 0.9 microM in Calu-3 cells, making it a valuable tool for antiviral research and drug discovery. It belongs to the aurone class of compounds and is used for in vitro and preclinical studies for COVID-19. This product is for research use only and not for human therapeutic applications.
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| Molecular Formula |
C17H12F2O4
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| Appearance |
Yellow to orange 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) |
DMSO :~50 mg/mL (~157.10 mM)
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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.) |
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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