| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
LabMol-319 targets the Zika virus (ZIKV) NS5 RNA-dependent RNA polymerase (RdRp), an essential enzyme for viral RNA replication. By specifically inhibiting this enzyme, it blocks the viral life cycle at the replication stage. Its high specificity ensures that its antiviral effects are mediated through RdRp inhibition without off-target effects on other viral proteins like the NS2B-NS3 protease.
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|---|---|
| ln Vitro |
At a dose of 20 μM, LabMol-319 exhibits 98% inhibition of NS5 RdRp activity [1].
In vitro, LabMol-319 demonstrates potent inhibition of the ZIKV NS5 RdRp with an IC50 of 1.6 μM. At a concentration of 20 μM, it achieves 98% target inhibition. Its activity is specific to the RdRp, as it shows no cross-activity against the ZIKV NS2B-NS3 protease. This high level of potency and selectivity makes it a valuable tool for studying ZIKV replication mechanisms and for use as a reference in antiviral compound screening. |
| ln Vivo |
In vivo data for LabMol-319 is not extensively reported in publicly available sources. As a potent and specific ZIKV NS5 RdRp inhibitor with strong in vitro activity, the compound has potential applications in animal models of Zika virus infection. By inhibiting viral RNA replication, it could reduce viral load and disease severity. However, specific published in vivo efficacy studies are not detailed in the current literature. LabMol-319 is primarily used as a research tool for studying ZIKV replication and for antiviral drug discovery.
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| Enzyme Assay |
The in vitro ZIKV NS5 RdRp inhibition assay for LabMol-319 uses recombinant ZIKV NS5 protein and an RNA template. Polymerase activity is measured by monitoring the incorporation of labeled nucleotides into RNA products, and IC50 values are calculated from dose-response curves. The compound's specificity is confirmed by testing its activity against other viral targets, such as the NS2B-NS3 protease, to ensure no cross-reactivity.
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| Cell Assay |
Antiviral assays for LabMol-319 are conducted in ZIKV-infected cell lines. Cells are infected with ZIKV and treated with varying concentrations of the compound. Viral replication is measured by quantifying viral RNA levels using qPCR or by plaque reduction assays. EC50 values are calculated from dose-response curves. Cell viability is assessed to confirm that antiviral activity is not due to cytotoxicity.
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| Animal Protocol |
In vivo studies for LabMol-319 would typically involve animal models of Zika virus infection, such as immunocompromised mice. The compound would be administered via intraperitoneal or oral routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring viral loads in blood and tissues, as well as clinical signs of infection. However, specific published in vivo protocols for LabMol-319 are not available in the current literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for LabMol-319 is not extensively reported in publicly available sources. The compound has a molecular weight of 388.37 g/mol and a molecular formula of C22H16N2O5. It is typically handled as a solid and dissolved in an appropriate solvent for in vitro assays. As a small molecule, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life and bioavailability are not available in the current literature.
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| Toxicity/Toxicokinetics |
Toxicity data for LabMol-319 is limited in publicly available sources. As with all research compounds, LabMol-319 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays in relevant cell lines and in vivo tolerability studies would be required for a complete toxicity assessment. Its specificity for the viral RdRp suggests a favorable off-target profile.
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| References | |
| Additional Infomation |
LabMol-319 is a potent and specific inhibitor of the Zika virus NS5 RdRp with an IC50 of 1.6 μM. It achieves 98% target inhibition at 20 μM with no cross-activity against the ZIKV NS2B-NS3 protease. It has a molecular formula of C22H16N2O5 and a molecular weight of 388.37 g/mol. This compound is a valuable research tool for studying ZIKV replication, understanding RdRp function, and developing novel antiviral therapies.
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| Molecular Formula |
C22H16N2O5
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|---|---|
| Molecular Weight |
388.372845649719
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| Exact Mass |
388.105
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| CAS # |
381188-63-2
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| PubChem CID |
1255872
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
645
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(OC)(=O)C1=CC=CC(N2C(=O)C3=C(C2=O)C=CC(OC2=CC=C(N)C=C2)=C3)=C1
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| InChi Key |
RSNZUSAICBITNA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H16N2O5/c1-28-22(27)13-3-2-4-15(11-13)24-20(25)18-10-9-17(12-19(18)21(24)26)29-16-7-5-14(23)6-8-16/h2-12H,23H2,1H3
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| Chemical Name |
methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
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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) |
DMSO : 100 mg/mL (257.49 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5749 mL | 12.8743 mL | 25.7486 mL | |
| 5 mM | 0.5150 mL | 2.5749 mL | 5.1497 mL | |
| 10 mM | 0.2575 mL | 1.2874 mL | 2.5749 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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