SARS-CoV-2-IN-15
Based on 1 Customer Validation
SARS-CoV-2-IN-15 (compound 11) is a potent inhibitor of SARS-CoV-2 with an IC50 of 0.49 μM. SARS-CoV-2-IN-15 is a niclosamide analogue. SARS-CoV-2-IN-15 contains higher stability in human plasma and liver S9 enzymes assay than niclosamide, which can improve bioavailability and half-life when administered orally.
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- Purity : 99.65%
- CAS No.: 1580-42-3
- 화학식: C14H9ClF3NO2
- 분자량:315.67
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보관:Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month
Biological Activity
제품 설명
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK293 | IC50 |
0.89 μM
Compound: 11
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Inhibition of Wnt/beta-catenin in HEK293 cells assessed as inhibition of Wnt3A-stimulated TOPFlash activity after 8 hrs
Inhibition of Wnt/beta-catenin in HEK293 cells assessed as inhibition of Wnt3A-stimulated TOPFlash activity after 8 hrs
|
[PMID: 26272032] |
| J774.A1 | CC50 |
44.15 μM
Compound: 23
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Cytotoxicity against mouse J774A.1 cells assessed as reduction in cell viability by MTT assay
Cytotoxicity against mouse J774A.1 cells assessed as reduction in cell viability by MTT assay
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[PMID: 36565533] |
| Macrophage | IC50 |
5.9 μM
Compound: 27
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Cytotoxicity against mouse macrophage cell line J774.1 (ATCC TIB-67) for 3 days by Alamar Blue
Cytotoxicity against mouse macrophage cell line J774.1 (ATCC TIB-67) for 3 days by Alamar Blue
|
[PMID: 23211970] |
| Vero | CC50 |
3.17 μM
Compound: 23
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Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability by MTT assay
Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability by MTT assay
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[PMID: 36565533] |
| Vero C1008 | CC50 |
100 μM
Compound: 11
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Cytotoxicity against African green monkey Vero E6 cells assessed as reduction in cell viability preincubated for 2 hrs followed by SARS-CoV-2 addition measured after 24 hrs by CPE assay
Cytotoxicity against African green monkey Vero E6 cells assessed as reduction in cell viability preincubated for 2 hrs followed by SARS-CoV-2 addition measured after 24 hrs by CPE assay
|
[PMID: 35344901] |
| Vero C1008 | CC50 |
5.95 μM
Compound: 11
|
Cytotoxicity against African Green monkey Vero E6 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay
Cytotoxicity against African Green monkey Vero E6 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay
|
[PMID: 35344901] |
Chemical Information
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CAS No. 1580-42-3
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Appearance Solid
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분자량 315.67
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화학식 C14H9ClF3NO2
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Color White to off-white
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SMILES
O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC(Cl)=CC=C2O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
In Vitro:
DMSO : 25 mg/mL (79.20 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)
In Vivo:
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: ≥ 2.08 mg/mL (6.59 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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.
In Vivo Dissolution Calculator
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.
Protocol
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
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Protocol for Pharmacokinetic Study
Pharmacokinetic studies quantify how an organism handles a drug over time through absorption, distribution, metabolism, and excretion, and the core experimental readout is the concentration-time profile of parent drug and, when relevant, metabolites in biological matrices such as plasma, whole blood, urine, bile, or tissue. Pharmacokinetic analysis links dose, route, exposure, clearance, half-life, distribution, bioavailability, and systemic exposure to drug efficacy and toxicity hypotheses rather than measuring a signaling pathway directly. The literature links pharmacokinetics to drug-development phenotypes by showing that drug metabolism and pharmacokinetics influence compound progression, exposure-response interpretation, safety margins, dosing strategy, and failure risk during discovery and development. DMPK science contributes to compound optimization by integrating physicochemical properties, in vitro metabolism, transporter behavior, in vivo exposure, and pharmacodynamic contex
순도&문서
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Data Sheet (270 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 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 | 3.1679 mL | 15.8393 mL | 31.6787 mL | 79.1966 mL |
| 5 mM | 0.6336 mL | 3.1679 mL | 6.3357 mL | 15.8393 mL | |
| 10 mM | 0.3168 mL | 1.5839 mL | 3.1679 mL | 7.9197 mL | |
| 15 mM | 0.2112 mL | 1.0560 mL | 2.1119 mL | 5.2798 mL | |
| 20 mM | 0.1584 mL | 0.7920 mL | 1.5839 mL | 3.9598 mL | |
| 25 mM | 0.1267 mL | 0.6336 mL | 1.2671 mL | 3.1679 mL | |
| 30 mM | 0.1056 mL | 0.5280 mL | 1.0560 mL | 2.6399 mL | |
| 40 mM | 0.0792 mL | 0.3960 mL | 0.7920 mL | 1.9799 mL | |
| 50 mM | 0.0634 mL | 0.3168 mL | 0.6336 mL | 1.5839 mL | |
| 60 mM | 0.0528 mL | 0.2640 mL | 0.5280 mL | 1.3199 mL |