| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
SARS-CoV-2-IN-13 targets SARS-CoV-2, the causative agent of COVID-19. As a niclosamide analogue, it likely inhibits viral replication by targeting viral entry or replication mechanisms. Niclosamide has been shown to inhibit SARS-CoV-2 by blocking viral entry and disrupting endosomal acidification. The compound has an IC50 of 0.057 μM against SARS-CoV-2. Its improved stability compared to niclosamide suggests a more favorable pharmacokinetic profile for oral administration.
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| ln Vitro |
In vitro, SARS-CoV-2-IN-13 is a potent inhibitor of SARS-CoV-2 with an IC50 of 0.057 μM. It shows greater stability in human plasma and liver S9 enzyme assays than niclosamide, indicating improved metabolic stability. The compound demonstrates significant antiviral activity, cytotoxicity, metabolic stability, and permeability across various assays. As a niclosamide analogue, it is expected to inhibit viral entry and replication.
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| ln Vivo |
In vivo, SARS-CoV-2-IN-13 is expected to show improved bioavailability and half-life when administered orally compared to niclosamide, due to its greater stability in plasma and liver S9 fractions. However, specific in vivo efficacy data in animal models of SARS-CoV-2 infection are not extensively reported in the available literature. The compound is a promising candidate for further development as an oral antiviral agent.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for SARS-CoV-2-IN-13 typically involve antiviral activity assays using Vero E6 cells infected with SARS-CoV-2. Cells are cultured in DMEM with 2% FBS and treated with various concentrations of the compound (typically 0.001-10 μM) for 48-72 hours. Viral replication is quantified by plaque assay or qRT-PCR for viral RNA. The IC50 is determined from dose-response curves. Cytotoxicity is assessed in parallel using MTT assays. Metabolic stability is evaluated in human plasma and liver S9 fractions.
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| Cell Assay |
In vitro cellular assays for SARS-CoV-2-IN-13 use Vero E6 cells or Calu-3 human lung epithelial cells infected with SARS-CoV-2. Cells are cultured in DMEM with 2% FBS and treated with various concentrations of the compound (typically 0.001-10 μM) for 48-72 hours post-infection. Viral RNA is quantified by RT-qPCR. Viral titers are determined by plaque assay or TCID50. Cytotoxicity is assessed using CellTiter-Glo or MTT assays. Permeability is assessed using Caco-2 or MDCK cell monolayers.
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| Animal Protocol |
In vivo animal studies with SARS-CoV-2-IN-13 would typically use mouse models of SARS-CoV-2 infection (e.g., K18-hACE2 transgenic mice). Mice are infected intranasally with SARS-CoV-2 and treated with the compound orally at doses of 1-50 mg/kg, once or twice daily for 3-7 days. Viral load in lungs and other tissues is measured by qRT-PCR. Lung histopathology, cytokine levels, and survival are assessed. However, specific in vivo data for this compound are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SARS-CoV-2-IN-13: The compound shows greater stability in human plasma and liver S9 enzyme assays than niclosamide, which can improve oral bioavailability and half-life. Specific PK parameters such as Cmax, Tmax, AUC, and bioavailability are not extensively reported. The compound has a molecular weight of 327.12. It is expected to be metabolized by hepatic enzymes and excreted in bile and urine.
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| Toxicity/Toxicokinetics |
The toxicity profile of SARS-CoV-2-IN-13 is not extensively reported in the available literature. As a niclosamide analogue, it may have a similar safety profile to niclosamide, which is an FDA-approved anti-helminthic drug with a well-established safety profile. The compound is for research use only and not for human therapeutic use. Standard toxicity studies would include cytotoxicity assays in normal cell lines and acute toxicity in rodents.
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| References | |
| Additional Infomation |
SARS-CoV-2-IN-13 (CAS 56961-10-5, compound 5/6) is a potent inhibitor of SARS-CoV-2 with an IC50 of 0.057 μM. It is a niclosamide analogue that demonstrates greater stability in human plasma and liver S9 enzyme assays, potentially improving oral bioavailability and half-life. The compound is a promising candidate for research on COVID-19 therapeutics and is available for research use only.
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| Molecular Formula |
C13H8CL2N2O4
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|---|---|
| Molecular Weight |
327.119621276855
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| Exact Mass |
325.986
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| CAS # |
56961-10-5
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| PubChem CID |
19027407
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| Appearance |
Light yellow to brown solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
404
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C1C=CC(N(=O)=O)=C(Cl)C=1)C(C1C=C(Cl)C=CC=1O)=O
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| InChi Key |
FKLGWJUBUPDJJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-8-2-3-11(17(20)21)10(15)6-8/h1-6,18H,(H,16,19)
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| Chemical Name |
5-chloro-N-(3-chloro-4-nitrophenyl)-2-hydroxybenzamide
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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 : ≥ 125 mg/mL (~382.12 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0570 mL | 15.2849 mL | 30.5698 mL | |
| 5 mM | 0.6114 mL | 3.0570 mL | 6.1140 mL | |
| 10 mM | 0.3057 mL | 1.5285 mL | 3.0570 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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