| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg | |||
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| Targets |
DENV-IN-5 targets the dengue virus polymerase, an essential enzyme for viral RNA replication. The compound inhibits the polymerase activity, thereby blocking the replication of the viral genome. This mechanism is shared with other nucleoside and non-nucleoside polymerase inhibitors. The compound's activity against all four DENV serotypes and HIV-1 suggests it may target a conserved region of the polymerase or have a broader mechanism of action. Further studies are needed to fully elucidate its molecular target and binding site.
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| ln Vitro |
In vitro, DENV-IN-5 demonstrates potent antiviral activity against dengue virus. It inhibits DENV-I replication with an EC50 of 1.47 μM, and DENV-II, DENV-III, and DENV-IV with EC50 values of 9.23 μM, 7.08 μM, and 8.91 μM, respectively. The compound also inhibits HIV-1IIIB with an EC50 of 0.1512 μM. These in vitro data confirm its broad-spectrum antiviral activity. The compound's mechanism of action involves inhibition of the viral polymerase.
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| ln Vivo |
In vivo data for DENV-IN-5 are limited. The compound is used in preclinical studies, but specific in vivo efficacy data in animal models of dengue virus infection are not available in the public domain. As a polymerase inhibitor, it has the potential for oral or parenteral administration, but pharmacokinetic and pharmacodynamic studies would be needed to assess its in vivo potential. The compound is a research tool for antiviral drug discovery.
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| Enzyme Assay |
In vitro antiviral assays for DENV-IN-5 are performed using dengue virus-infected cell cultures. Cells (e.g., Vero cells, BHK-21 cells) are infected with DENV serotypes and treated with varying concentrations of the compound. Viral replication is measured by plaque reduction assays, qRT-PCR, or immunofluorescence. EC50 values are determined from dose-response curves. Similar assays are performed for HIV-1. These assays characterize the compound's antiviral potency and selectivity.
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| Cell Assay |
Cell-based assays for DENV-IN-5 are conducted in virus-permissive cell lines. Cells are infected with dengue virus or HIV-1 and treated with the compound at various concentrations. Cytotoxicity is assessed in parallel using MTT or similar assays to determine the therapeutic index. Viral replication is measured by quantifying viral RNA or protein. These assays confirm the compound's antiviral activity and are used to determine EC50 values.
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| Animal Protocol |
In vivo animal experiments with DENV-IN-5 are not extensively documented. Typical study designs would involve administration of the compound in mouse models of dengue virus infection, such as AG129 mice (which are deficient in interferon receptors). Dosing regimens, routes of administration, and endpoints (viral load, survival, clinical score) would be evaluated. However, specific protocols are not available in the public domain. The compound is for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of DENV-IN-5 are not extensively characterized. The compound has a molecular formula of C23H25ClF2N4OS and a molecular weight of 478.99. It is soluble in DMSO. Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year. Specific data on absorption, distribution, metabolism, and excretion are not available. The compound is a research tool and not a clinical candidate at this stage.
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| Toxicity/Toxicokinetics |
Safety and toxicology data for DENV-IN-5 are limited. The compound is for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. Cytotoxicity data from cell-based assays would provide some information on the therapeutic index. No specific toxicity data are available.
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| References | |
| Additional Infomation |
DENV-IN-5 has CAS number 2375781-06-7, molecular formula C23H25ClF2N4OS, and molecular weight 478.99. It is a dengue virus inhibitor with EC50s of 1.47 μM (DENV-I), 9.23 μM (DENV-II), 7.08 μM (DENV-III), and 8.91 μM (DENV-IV). It also inhibits HIV-1IIIB with EC50 = 0.1512 μM. It inhibits dengue virus polymerase. Purity: typically ≥98%. Not for human use; for research purposes only.
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| Molecular Formula |
C23H25CLF2N4OS
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|---|---|
| Molecular Weight |
478.985609769821
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| Exact Mass |
478.14
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| CAS # |
2375781-06-7
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| PubChem CID |
139479539
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
6.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
746
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(C2C=CC(=C(C=2)F)F)=NNC=1CSC1NC(C(CC)=C(CC2CCCCC2)N=1)=O
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| InChi Key |
GYGFJKYRVOOELP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25ClF2N4OS/c1-2-15-18(10-13-6-4-3-5-7-13)27-23(28-22(15)31)32-12-19-20(24)21(30-29-19)14-8-9-16(25)17(26)11-14/h8-9,11,13H,2-7,10,12H2,1H3,(H,29,30)(H,27,28,31)
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| Chemical Name |
2-[[4-chloro-3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-4-(cyclohexylmethyl)-5-ethyl-1H-pyrimidin-6-one
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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) |
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 | 2.0877 mL | 10.4386 mL | 20.8773 mL | |
| 5 mM | 0.4175 mL | 2.0877 mL | 4.1755 mL | |
| 10 mM | 0.2088 mL | 1.0439 mL | 2.0877 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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