SARS-CoV-2 3CLpro-IN-13
Based on 1 Customer Validation
SARS-CoV-2 3CLpro-IN-13 is a potent SARS-CoV-2 3CL protease inhibitor with an IC50 value of 21 nM. SARS-CoV-2 3CLpro-IN-13 shows anti-coronavirus activity.
For research use only. We do not sell to patients.
- Purity: 99.0%
- CAS No.: 622794-09-6
- Formula: C16H16N4S2
- Molecular Weight:328.46
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Storage:Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
IC50: 21 nM (SARS-CoV-2 3CL protease)[1]
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Cell Line
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Type | Value | Description | References |
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| Vero | IC50 |
1.06 μM
Compound: 1
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Antiviral activity against SARS-CoV-2 infected in Vero cells assessed as inhibition of viral growth incubated for 16 hrs by Hoechst 33342 staining assay
Antiviral activity against SARS-CoV-2 infected in Vero cells assessed as inhibition of viral growth incubated for 16 hrs by Hoechst 33342 staining assay
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[PMID: 36796300] |
SARS-CoV-2 3CLpro-IN-13 (compound 1) shows anti-coronavirus activity with IC50s of 0.016, 0.021, 0.383, 2.00 µM for hCoV-229E (Alpha-CoV) 3CLpro, SARS-CoV-2 (Beta-CoV) 3CLpro, SARS-CoV (Beta-CoV) 3CLpro, MERS-CoV (Beta-CoV) 3CLpro, respectively[1].
SARS-CoV-2 3CLpro-IN-13 (0-300 µM) shows a selectivity profile against human cysteine proteases with IC50s of 1.46, >300, 122 µM for 3CLpro SARS-CoV-2, human calpain 1, Cathepsin L respectively[1].
SARS-CoV-2 3CLpro-IN-13 (0.1-10 µM) shows antiviral activity with IC50 values of 1.06, 1.34 µM for SARS-CoV-2 and human coronavirus 229E, respectively[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 622794-09-6
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Appearance Solid
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Molecular Weight 328.46
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Formula C16H16N4S2
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Color White to off-white
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SMILES
CC1=CC=CC2=NC(CSC(NCC3=CN=CC=C3)=S)=CN12
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (304.45 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (15.22 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (15.22 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (271 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 3.0445 mL | 15.2226 mL | 30.4451 mL | 76.1128 mL |
| 5 mM | 0.6089 mL | 3.0445 mL | 6.0890 mL | 15.2226 mL | |
| 10 mM | 0.3045 mL | 1.5223 mL | 3.0445 mL | 7.6113 mL | |
| 15 mM | 0.2030 mL | 1.0148 mL | 2.0297 mL | 5.0742 mL | |
| 20 mM | 0.1522 mL | 0.7611 mL | 1.5223 mL | 3.8056 mL | |
| 25 mM | 0.1218 mL | 0.6089 mL | 1.2178 mL | 3.0445 mL | |
| 30 mM | 0.1015 mL | 0.5074 mL | 1.0148 mL | 2.5371 mL | |
| 40 mM | 0.0761 mL | 0.3806 mL | 0.7611 mL | 1.9028 mL | |
| 50 mM | 0.0609 mL | 0.3045 mL | 0.6089 mL | 1.5223 mL | |
| 60 mM | 0.0507 mL | 0.2537 mL | 0.5074 mL | 1.2685 mL | |
| 80 mM | 0.0381 mL | 0.1903 mL | 0.3806 mL | 0.9514 mL | |
| 100 mM | 0.0304 mL | 0.1522 mL | 0.3045 mL | 0.7611 mL |
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