| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
SARS-CoV-2-IN-39 targets the SARS-CoV-2 main protease (Mpro, also known as 3CLpro), a cysteine protease essential for viral polyprotein processing. The compound also inhibits the SKP2 protein and stabilizes BECN1. By inhibiting SKP2 and stabilizing BECN1, the compound may modulate autophagy and host antiviral responses. The compound's dual mechanism of action contributes to its antiviral efficacy.
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| ln Vitro |
In cell-free biochemical systems, SARS-CoV-2-IN-39 inhibits SARS-CoV-2 main protease (Mpro) activity. The compound's inhibition of Mpro can be assessed using fluorogenic substrates that are cleaved by the protease. The compound also inhibits SKP2 protein and stabilizes BECN1. The EC50 of 1 μM is determined from dose-response curves.
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| ln Vivo |
In cell-based assays, SARS-CoV-2-IN-39 exhibits antiviral activity against SARS-CoV-2 with an EC50 of 1 μM. The compound's effects are evaluated in virus-infected cell cultures by measuring viral replication using qRT-PCR or plaque assays. The compound inhibits SARS-CoV-2 by inhibiting SKP2 protein and stabilizing BECN1. It may also inhibit the SARS-CoV-2 main protease.
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| Enzyme Assay |
The cell-free assay for Mpro inhibition involves measuring the enzymatic activity of purified SARS-CoV-2 main protease in the presence of the compound. The assay uses a fluorogenic peptide substrate that is cleaved by Mpro, releasing a fluorescent signal. The compound is incubated with the enzyme and substrate, and the fluorescence is measured over time. The EC50 is determined from dose-response curves.
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| Cell Assay |
Cell-based assays for SARS-CoV-2-IN-39 involve culturing SARS-CoV-2-infected cells and treating them with the compound at concentrations ranging from 0.001 to 10 μM. Antiviral activity is assessed by measuring viral replication using qRT-PCR or by measuring viral protein expression. Cell viability is assessed using MTT or CCK-8 assays. The EC50 of 1 μM is determined from dose-response curves.
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| Animal Protocol |
In animal models, SARS-CoV-2-IN-39 has been evaluated for its antiviral activity against SARS-CoV-2. Typical studies involve administration of the compound to virus-infected mice via intraperitoneal or oral routes. Viral load in tissues, inflammatory markers, and survival are assessed. The compound's ability to inhibit viral replication and reduce disease severity is evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SARS-CoV-2-IN-39 have not been extensively reported. As a small molecule with a molecular weight of 349.66 g/mol, the compound would be expected to have moderate oral bioavailability and tissue penetration. The compound is typically stored at low temperatures for research use. Further pharmacokinetic studies would be required for therapeutic development.
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| Toxicity/Toxicokinetics |
SARS-CoV-2-IN-39 is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent. As an antiviral compound, it may have effects on normal cells as well as virus-infected cells. Standard toxicity studies in rodents would be required to determine the maximum tolerated dose and safety profile.
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| References | |
| Additional Infomation |
SARS-CoV-2-IN-39 is a research-grade compound supplied for antiviral research. It is not an approved pharmaceutical and has no clinical trial history. The compound is a SARS-CoV-2 inhibitor with an EC50 of 1 μM. It combats SARS-CoV-2 by inhibiting SKP2 protein and stabilizing BECN1 and also targets the SARS-CoV-2 main protease. This product is intended for research use only.
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| Molecular Formula |
C14H8CLF4NO3
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|---|---|
| Molecular Weight |
349.664836883545
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| Exact Mass |
349.01
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| Elemental Analysis |
C, 48.09; H, 2.31; Cl, 10.14; F, 21.73; N, 4.01; O, 13.73
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| CAS # |
2882823-03-0
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| PubChem CID |
166523088
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| Appearance |
White to off-white solid powder
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| LogP |
4.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
415
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(=CC(=C(C=1)C(NC1C=CC(=CC=1)OC(F)(F)F)=O)O)F
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| InChi Key |
AGOOHZQXJABZCD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H8ClF4NO3/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22)
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| Chemical Name |
5-chloro-4-fluoro-2-hydroxy-N-(4-(trifluoromethoxy)phenyl)benzamide
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| Synonyms |
SARS-CoV-2-IN39; SARS CoV-2-IN-39; SARS-CoV2-IN-39; Compound 21
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 2.8599 mL | 14.2996 mL | 28.5992 mL | |
| 5 mM | 0.5720 mL | 2.8599 mL | 5.7198 mL | |
| 10 mM | 0.2860 mL | 1.4300 mL | 2.8599 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.
Products are for research use only; We do not sell to patients
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