| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
BVDV-IN-1 targets the bovine viral diarrhea virus (BVDV) RNA-dependent RNA polymerase (RdRp). The compound is a non-nucleoside inhibitor (NNI) that directly binds to a hydrophobic pocket of the BVDV RdRp. By binding to the RdRp, the compound inhibits viral RNA replication. BVDV-IN-1 is active against TSC-resistant BVDV viruses. The compound's mechanism of action is distinct from nucleoside inhibitors.
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| ln Vitro |
In the BVDV RNA-dependent RNA polymerase (RdRp), BVDV-IN-1 (compound 1.9) attaches itself to a hydrophobic pocket[1]. In vitro, TSC-resistant BVDV variants cannot replicate when BVDV-IN-1 is present[1].
In vitro studies demonstrate that BVDV-IN-1 is a non-nucleoside inhibitor of BVDV with an EC50 of 1.8 μM. The compound directly binds to a hydrophobic pocket of the BVDV RdRp. It is active against TSC-resistant BVDV viruses. The compound's antiviral activity has been confirmed in cell-based assays. |
| ln Vivo |
No detailed in vivo activity data has been published for BVDV-IN-1. The compound has been primarily characterized in vitro as a research tool for studying BVDV infection. Its ability to inhibit BVDV with an EC50 of 1.8 μM suggests that it could have potential for in vivo applications. Further studies would be needed to evaluate its efficacy in animal models of BVDV infection.
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| Enzyme Assay |
The RdRp inhibitory activity of BVDV-IN-1 can be assessed using in vitro polymerase assays. In a typical assay, purified BVDV RdRp is incubated with a RNA template, nucleotide substrates, and varying concentrations of BVDV-IN-1. The incorporation of nucleotides into the growing RNA chain is measured, and the IC50 is calculated. The compound's binding to the hydrophobic pocket of RdRp can be confirmed using binding assays such as surface plasmon resonance.
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| Cell Assay |
The antiviral activity of BVDV-IN-1 is assessed using BVDV-infected cell lines. Cells are treated with varying concentrations of BVDV-IN-1. Viral replication is measured by quantifying viral RNA using qRT-PCR or by plaque assays. The EC50 (1.8 μM) is calculated from dose-response curves. Cytotoxicity is assessed in uninfected cells using MTT assays. The compound's activity against TSC-resistant BVDV viruses can be assessed using resistant virus strains.
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| Animal Protocol |
No detailed in vivo animal model data has been published for BVDV-IN-1. The compound has been primarily characterized in vitro as a research tool for studying BVDV infection. Future studies may involve the use of calf models of BVDV infection to assess the in vivo efficacy of BVDV-IN-1. Such studies would be essential to confirm the compound's antiviral activity in a physiological setting.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for BVDV-IN-1. The compound has a molecular weight of 334.41 g/mol and a molecular formula of C20H22N4O. It is soluble in DMSO at 67 mg/mL (200.35 mM). Further studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties, including oral bioavailability, plasma protein binding, clearance, and half-life.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for BVDV-IN-1. As a non-nucleoside inhibitor, it may have a different safety profile compared to nucleoside analogs. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only.
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| References | |
| Additional Infomation |
BVDV-IN-1 (CAS# 345651-04-9) is a non-nucleoside inhibitor of bovine viral diarrhea virus (BVDV) with an EC50 of 1.8 μM. The compound directly binds to a hydrophobic pocket of the BVDV RNA-dependent RNA polymerase (RdRp). It is active against TSC-resistant BVDV viruses. The molecular formula is C20H22N4O and molecular weight is 334.41 g/mol. The compound is used as a research tool for studying BVDV infection and antiviral strategies.
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| Molecular Formula |
C20H22N4O
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|---|---|
| Molecular Weight |
334.4149
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| Exact Mass |
334.18
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| CAS # |
345651-04-9
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| PubChem CID |
12796039
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| Appearance |
White to off-white solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
407
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2C3=C([H])C([H])=C([H])C([H])=C3N=C(C3C([H])=C([H])C([H])=C([H])C=3[H])N=2)C([H])([H])C1([H])[H]
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| InChi Key |
DPFKMYSBAMEGQK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H22N4O/c25-15-14-23-10-12-24(13-11-23)20-17-8-4-5-9-18(17)21-19(22-20)16-6-2-1-3-7-16/h1-9,25H,10-15H2
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| Chemical Name |
2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]ethanol
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| Synonyms |
BVDV-IN-1
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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 : 67~250 mg/mL (200.4~747.6 mM)
Ethanol : ~34 mg/mL (~101.7 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.22 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 (6.22 mM) (saturation unknown) 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. 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 (6.22 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 | 2.9903 mL | 14.9517 mL | 29.9034 mL | |
| 5 mM | 0.5981 mL | 2.9903 mL | 5.9807 mL | |
| 10 mM | 0.2990 mL | 1.4952 mL | 2.9903 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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