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| Targets |
Flaviviruses-IN-3 targets the viral protease of flaviviruses, including West Nile virus (WNV) protease. Viral proteases are essential for the processing of the viral polyprotein and subsequent viral replication. By inhibiting protease activity, Flaviviruses-IN-3 disrupts the viral life cycle and reduces viral RNA synthesis. The compound is used in virology research to study flavivirus replication and to identify potential antiviral targets. Resistance can arise from mutations in NS3 protease or NS5 polymerase.
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| ln Vitro |
Flaviviruses-IN-3 demonstrates potent in vitro activity against flaviviruses. It reduces West Nile virus (WNV) protease activity with an inhibition rate of 54%. The compound is applied in preclinical studies to evaluate efficacy and selectivity of compounds targeting flavivirus replication. It supports analysis of cellular pathways influencing viral propagation, guiding identification of novel antiviral intervention points. The compound's activity is assessed using viral replication assays and protease inhibition assays.
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| ln Vivo |
In vivo studies for Flaviviruses-IN-3 have not been extensively documented in the available literature. As a viral protease inhibitor, it has potential for in vivo applications in the treatment of flavivirus infections. Studies in appropriate animal models of flavivirus infection would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. The compound's small molecule properties suggest potential for oral bioavailability and tissue penetration.
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| Enzyme Assay |
For protease inhibition assays, Flaviviruses-IN-3 is tested against WNV protease at various concentrations. Protease activity is measured using fluorogenic peptide substrates, and the inhibition rate is calculated from dose-response curves. For antiviral assays, flavivirus-infected cells are treated with the compound at various concentrations, and viral RNA synthesis is measured by qRT-PCR. Cytotoxicity is assessed in parallel using standard cell viability assays to determine the selectivity index.
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| Cell Assay |
For cellular studies, appropriate cell lines susceptible to flavivirus infection are cultured in appropriate media and infected with viruses such as WNV, dengue, or Zika. Cells are treated with Flaviviruses-IN-3 at various concentrations for 24-48 hours post-infection. Viral replication is assessed by measuring viral RNA levels using qRT-PCR or by plaque reduction assays. Cytotoxicity is assessed in parallel using MTT or CellTiter-Glo assays to determine the selectivity index.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of flavivirus infection would be used. Flaviviruses-IN-3 would be administered via appropriate routes at various doses. Viral load in target tissues would be measured by qRT-PCR, and histopathological analysis would assess tissue damage. Survival and clinical signs would be monitored. However, detailed in vivo protocols for Flaviviruses-IN-3 have not been extensively reported in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Flaviviruses-IN-3 have not been fully characterized in the available literature. The compound has a molecular formula of C26H23N3O4S and a molecular weight of 473.54. It is a small molecule with potential for oral bioavailability. The compound is typically stored as a solid and handled according to manufacturer recommendations. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are needed to fully understand its ADME properties.
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| Toxicity/Toxicokinetics |
Flaviviruses-IN-3 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a flavivirus protease inhibitor, it reduces WNV protease activity by 54%. The compound is used in flavivirus replication studies, lead optimization applications, and host-virus interaction studies. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Flaviviruses-IN-3 is a potent flavivirus inhibitor with molecular formula C26H23N3O4S and molecular weight 473.54. It reduces West Nile virus protease activity by 54% and is used to study inhibition of viral RNA synthesis. The compound is designed to inhibit replication of flaviviruses such as dengue virus, Zika virus, and West Nile virus. It is for research use only and has not been approved for clinical applications.
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| Molecular Formula |
C26H23N3O4S
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|---|---|
| Molecular Weight |
473.54
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| Exact Mass |
473.14
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| CAS # |
420090-97-7
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| PubChem CID |
1358755
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.653
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| LogP |
4.09
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
810
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C
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| InChi Key |
BFDIEQUQKQXLAS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
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| Chemical Name |
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
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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 (263.97 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.39 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1118 mL | 10.5588 mL | 21.1175 mL | |
| 5 mM | 0.4224 mL | 2.1118 mL | 4.2235 mL | |
| 10 mM | 0.2112 mL | 1.0559 mL | 2.1118 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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