| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
|
||
| 25g |
|
||
| 50g |
|
||
| 100g |
|
||
| Other Sizes |
| Targets |
HSV-1(IC50=1.7μM)
5-Nitrobarbituric acid targets herpes simplex virus type-1 (HSV-1) with an IC50 of 1.7 μM. It inhibits the virus, although its precise mechanism of action is not fully detailed in the available literature. As a fragment molecule, it also serves as a scaffold for drug discovery, targeting various biological pathways. Its nitro group is key to its chemical reactivity and potential biological activity. The compound's ability to inhibit HSV-1 makes it a valuable tool for antiviral research. |
|---|---|
| ln Vitro |
5-Nitrobarbituric acid can inhibit vero cell growth
In vitro, 5-Nitrobarbituric acid has demonstrated inhibitory activity against herpes simplex virus type-1 (HSV-1) with an IC50 of 1.7 μM. It has also been shown to inhibit the growth of Vero cells, indicating some degree of cytotoxicity. In a cell cytotoxicity assay, Vero cells were treated with the compound at concentrations of 0.06-5 μM for 2 hours, and it showed high cytotoxicity. These in vitro findings highlight its antiviral activity and its potential for further development as an anti-HSV-1 agent, though its cytotoxicity needs to be carefully considered. |
| ln Vivo |
Specific in vivo activity data for 5-Nitrobarbituric acid are not detailed in the available literature. The compound is primarily used in in vitro studies to evaluate its antiviral activity against HSV-1. Its potential as an antiviral agent would require further evaluation in animal models to assess its efficacy, pharmacokinetics, and safety. As a research chemical, its primary application is in antiviral drug discovery and as a fragment for medicinal chemistry.
|
| Enzyme Assay |
In vitro enzyme or receptor binding assays for 5-Nitrobarbituric acid are not specifically described in the available literature. The primary assay used to evaluate its activity is the antiviral assay against HSV-1. In this assay, the compound's ability to inhibit viral replication is measured. The antiviral activity is typically assessed by infecting cells (e.g., Vero cells) with HSV-1 in the presence of varying concentrations of the compound. The reduction in viral titer or the prevention of cytopathic effect (CPE) is measured to determine the half-maximal inhibitory concentration (IC50).
|
| Cell Assay |
Cell Line: Vero cells
Concentration: 0.06-5 μM Incubation Time: 2 hours Result: Showed high cytotoxicity to vero cells. In vitro cell-based assays for 5-Nitrobarbituric acid are performed to evaluate its antiviral activity and cytotoxicity. For antiviral assays, Vero cells are seeded in multi-well plates and infected with HSV-1. The cells are then treated with varying concentrations of the compound (e.g., 0.06-5 μM) for a specified duration, such as 2 hours. The antiviral activity is assessed by measuring the reduction in viral plaque formation or the inhibition of virus-induced cytopathic effect (CPE). The half-maximal inhibitory concentration (IC50) is calculated from the dose-response curve. Cytotoxicity is assessed by treating uninfected cells with the compound and measuring cell viability using standard assays such as MTT. |
| Animal Protocol |
Specific in vivo animal experiment protocols for 5-Nitrobarbituric acid are not detailed in the available literature. For potential in vivo studies, the compound can be formulated for administration. A recommended formulation for similar compounds involves dissolving the compound in a mixture of solvents, such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline, to achieve a clear solution at a concentration of ≥ 2.5 mg/mL. The route of administration (e.g., oral, intraperitoneal, or intravenous) and dosing regimen would depend on the specific experimental design and viral model being studied.
|
| ADME/Pharmacokinetics |
5-Nitrobarbituric acid has a molecular weight of 173.08 g/mol and the formula C4H3N3O5. It is soluble in DMSO at 100 mg/mL. For in vivo formulation, it can be prepared in a mixture of 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. The compound is stored as a powder at -20°C for up to 3 years or at 4°C for up to 2 years, and in solvent at -80°C for up to 6 months or at -20°C for up to 1 month. Its melting point is 176°C (decomposes).
|
| Toxicity/Toxicokinetics |
Specific toxicological data for 5-Nitrobarbituric acid are not extensively provided in the available sources. It has been shown to exhibit high cytotoxicity to Vero cells at concentrations of 0.06-5 μM. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment. Its purity is typically ≥95%.
|
| References | |
| Additional Infomation |
5-Nitrobarbituric acid is a herpes simplex virus type-1 (HSV-1) inhibitor with an IC50 of 1.7 μM. It has the molecular formula C4H3N3O5 and a molecular weight of 173.08 g/mol. The compound is also known as dilituric acid and is a fragment molecule used as a scaffold in drug discovery. In vitro, it has demonstrated antiviral activity against HSV-1 and cytotoxicity to Vero cells. It is soluble in DMSO and is stored as a powder at -20°C. The compound is used in antiviral research and as a building block in medicinal chemistry. It is intended for research use only and is not for human consumption.
|
| Molecular Formula |
C4H3N3O5
|
|---|---|
| Molecular Weight |
173.0837
|
| Exact Mass |
173.007
|
| CAS # |
480-68-2
|
| PubChem CID |
10195
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
303.69°C
|
| Melting Point |
180.5°C
|
| Index of Refraction |
1.581
|
| LogP |
-1.13
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
259
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ABICJYZKIYUWEE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
|
| Chemical Name |
5-nitro-1,3-diazinane-2,4,6-trione
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~577.77 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.44 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 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. Solubility in Formulation 2: 2.5 mg/mL (14.44 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7777 mL | 28.8884 mL | 57.7768 mL | |
| 5 mM | 1.1555 mL | 5.7777 mL | 11.5554 mL | |
| 10 mM | 0.5778 mL | 2.8888 mL | 5.7777 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
