| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
ZINC03129319 targets the DENV NS2B-NS3 protease, an enzyme critical for viral polyprotein processing and replication. It also activates the STING pathway, inducing the expression of interferon-stimulated genes. The compound shows inhibition constants (Ki1) of 92±15 μM and Ki3 of 20±4 μM for the DENV NS2B-NS3 protease.
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|---|---|
| ln Vitro |
DENV NS2B-NS3 protease is inhibited by ZINC03129319, with a Ki1 of 92±15 μM and a Ki3 of 20±4 μM[1].
In vitro, ZINC03129319 inhibits DENV NS2B-NS3 protease activity with Ki1 of 92±15 μM and Ki3 of 20±4 μM. It induces expression of an IFN-stimulated gene 54 (ISG54) luciferase reporter in HepAD38 cells that constitutively express human cGAS and STING. At 50 µM, it increases IFNB1 expression. |
| ln Vivo |
In vivo activity data for ZINC03129319 are limited, as it is primarily a research compound for antiviral studies. As a DENV NS2B-NS3 inhibitor, it is expected to reduce viral load in infected animal models, but specific in vivo efficacy data are not well documented. Its STING activator property suggests potential immunomodulatory effects in vivo.
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| Enzyme Assay |
The NS2B-NS3 protease inhibition assay is performed using recombinant DENV NS2B-NS3 protease. The enzyme is incubated with a fluorogenic peptide substrate and various concentrations of ZINC03129319. The increase in fluorescence is monitored over time. Inhibition constants (Ki) are calculated from the reaction rates using appropriate kinetic models.
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| Cell Assay |
HepAD38 cells constitutively expressing human cGAS and STING are cultured and treated with ZINC03129319. After incubation, cells are lysed, and ISG54 luciferase reporter activity is measured using a luciferase assay kit. Alternatively, IFNB1 mRNA expression is quantified by qPCR. DENV-infected cell lines are used to assess antiviral activity by measuring viral RNA levels or plaque formation.
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| Animal Protocol |
In vivo studies for ZINC03129319 would typically involve DENV-infected mouse models. Compounds are administered via oral gavage or intraperitoneal injection. Viral loads in blood and tissues are measured by qRT-PCR. Survival rates and clinical scores are monitored. However, specific published in vivo data for this compound are limited.
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| ADME/Pharmacokinetics |
As a small molecule with MW 490.51, ZINC03129319 is soluble in DMSO. Detailed pharmacokinetic properties such as oral bioavailability, half-life, and tissue distribution are not well characterized in the literature. It is typically used in in vitro assays at concentrations up to 100 µM.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for ZINC03129319 are not well documented in the literature. As a research compound, it is not intended for human use. Standard safety precautions should be followed when handling. No significant cytotoxicity has been reported at concentrations used for STING activation or protease inhibition assays.
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| References | |
| Additional Infomation |
ZINC03129319 is primarily a research tool for studying dengue virus replication and the STING pathway. It is not an approved drug and is not in clinical trials. The compound is also known as DSDP. Its dual function as a protease inhibitor and STING activator makes it interesting for antiviral and immunomodulatory research.
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| Molecular Formula |
C24H14N2O6S2
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|---|---|
| Molecular Weight |
490.507763385773
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| Exact Mass |
490.029
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| CAS # |
1777807-64-3
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| PubChem CID |
2728815
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| Appearance |
White to yellow solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
34
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| Complexity |
957
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1(=O)C2=C(C=CC=C2)C(=O)C21SC[C@@]1([H])N2C(=O)[C@@]2([H])CSC3(C(=O)C4=C(C3=O)C=CC=C4)N2C1=O
|
| InChi Key |
GBYAWPJNMFAKDJ-HZPDHXFCSA-N
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| InChi Code |
InChI=1S/C24H14N2O6S2/c27-17-11-5-1-2-6-12(11)18(28)23(17)25-15(9-33-23)22(32)26-16(21(25)31)10-34-24(26)19(29)13-7-3-4-8-14(13)20(24)30/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
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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 : ~41.67 mg/mL (~84.95 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.24 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
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 (4.24 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0387 mL | 10.1935 mL | 20.3869 mL | |
| 5 mM | 0.4077 mL | 2.0387 mL | 4.0774 mL | |
| 10 mM | 0.2039 mL | 1.0193 mL | 2.0387 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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