| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
6-Hydroxybentazon does not have a specific pharmacological target. As a herbicide metabolite, its biological activity is primarily related to its herbicidal properties, which are similar to those of the parent compound bentazon. Bentazon acts as a photosystem II inhibitor in plants, blocking electron transport in photosynthesis. 6-Hydroxybentazon is a hydroxylated metabolite that is formed as part of the detoxification and elimination pathway of bentazon. The compound may have reduced herbicidal activity compared to the parent compound. It is used primarily as an analytical standard for monitoring bentazon exposure and metabolism.
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|---|---|
| ln Vitro |
In vitro studies on 6-Hydroxybentazon are limited, as the compound is primarily used as an analytical reference standard. The compound's formation from bentazon by cytochrome P450 enzymes has been studied in vitro using liver microsomes or recombinant enzymes. The compound's herbicidal activity, if any, is reduced compared to the parent compound. 6-Hydroxybentazon is typically used as a marker for bentazon metabolism and exposure. Detailed in vitro activity data beyond its role as a metabolite are not widely available.
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| ln Vivo |
In vivo studies on 6-Hydroxybentazon are limited. As a metabolite of bentazon, the compound is formed in vivo following exposure to the herbicide. The compound is excreted in urine and feces, and its presence in biological samples is used as a biomarker of bentazon exposure. Studies on the metabolism and elimination of bentazon in animals and humans have characterized the formation and excretion of 6-Hydroxybentazon. The compound's toxicological properties are generally similar to those of the parent compound, but it may have reduced toxicity due to the hydroxylation step.
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| Enzyme Assay |
The in vitro enzyme assays for 6-Hydroxybentazon typically involve studying the metabolism of bentazon to 6-Hydroxybentazon by cytochrome P450 enzymes. In these assays, liver microsomes or recombinant CYP enzymes are incubated with bentazon and NADPH, and the formation of 6-Hydroxybentazon is quantified using HPLC or LC-MS/MS. The compound is used as a reference standard for the identification and quantification of the metabolite. These assays are important for understanding the metabolic pathways and enzyme kinetics involved in bentazon metabolism.
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| Cell Assay |
Cellular assays for 6-Hydroxybentazon are not typically performed, as the compound is a metabolite rather than a drug with direct cellular effects. However, the compound's effects on cell viability and metabolism can be studied in hepatocyte cultures or other cell types to assess its potential toxicity. Cells are treated with 6-Hydroxybentazon, and markers of cell damage, oxidative stress, or metabolic disruption are measured. These studies help to evaluate the potential toxicity of the compound and its role in the overall toxicity of bentazon.
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| Animal Protocol |
In vivo animal studies for 6-Hydroxybentazon are typically conducted as part of the toxicological evaluation of bentazon. Animals are administered bentazon, and the formation and excretion of 6-Hydroxybentazon are monitored. The compound's presence in tissues, urine, and feces is quantified using analytical methods. These studies provide information on the metabolism, elimination, and potential toxicity of bentazon and its metabolites. The compound is not administered as a therapeutic agent but is studied as part of the overall toxicological profile of the herbicide.
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| ADME/Pharmacokinetics |
6-Hydroxybentazon has a molecular formula of C10H12N2O4S and a molecular weight of approximately 256.28. The compound is a solid at room temperature and is typically stored under appropriate conditions to maintain its stability. As an analytical reference standard, the compound is used in HPLC, LC-MS/MS, and GC-MS methods for the detection and quantification of bentazon metabolites. The compound's solubility and stability properties are well-characterized for analytical applications. Detailed pharmacokinetic parameters are not relevant, as the compound is not used as a therapeutic agent.
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| Toxicity/Toxicokinetics |
Toxicological data for 6-Hydroxybentazon are derived from studies on the parent compound bentazon. Bentazon has low to moderate acute toxicity in mammals, and its metabolites, including 6-Hydroxybentazon, are generally considered to have reduced toxicity compared to the parent compound. The compound is excreted primarily in urine. No significant toxicity has been reported for 6-Hydroxybentazon specifically. Standard safety precautions should be followed when handling the compound, as it is a chemical of environmental concern.
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| Additional Infomation |
6-Hydroxybentazon is a metabolite of the herbicide bentazon, used primarily as an analytical reference standard for the detection and quantification of bentazon and its metabolites in environmental and biological samples. The compound has a molecular formula of C10H12N2O4S and a molecular weight of approximately 256.28. It is formed by the hydroxylation of bentazon by cytochrome P450 enzymes. 6-Hydroxybentazon is not a therapeutic agent and is not approved for clinical use. It is available for research purposes only, particularly in the fields of environmental toxicology, analytical chemistry, and herbicide metabolism.
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| Molecular Formula |
C10H12N2O4S
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|---|---|
| Molecular Weight |
256.2783
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| Exact Mass |
256.052
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| CAS # |
60374-42-7
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| PubChem CID |
92361
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| Appearance |
Off-white to gray solid powder
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| Density |
1.448g/cm3
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| Boiling Point |
477.6ºC at 760 mmHg
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| Melting Point |
169-171ºC
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| Flash Point |
242.7ºC
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| Index of Refraction |
1.608
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| LogP |
2.069
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
415
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
PVKWIOBXPPFARA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)8-5-7(13)3-4-9(8)11-17(12,15)16/h3-6,11,13H,1-2H3
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| Chemical Name |
6-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-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) |
DMSO : ~250 mg/mL (~975.50 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.12 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 (8.12 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 (8.12 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 | 3.9020 mL | 19.5099 mL | 39.0198 mL | |
| 5 mM | 0.7804 mL | 3.9020 mL | 7.8040 mL | |
| 10 mM | 0.3902 mL | 1.9510 mL | 3.9020 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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