| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
2-Benzoxazolinone targets Leishmania donovani, functioning as an anti-leishmanial agent with an LC50 of 40 μg/mL. It also targets indoleamine dioxygenase 1 (IDO1) as an inhibitor and nitric oxide synthases (NOS). The compound has antioxidant activity. Its mechanism involves modulation of immune and inflammatory pathways through enzyme inhibition. 2-Benzoxazolinone is a versatile phytochemical scaffold.
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| ln Vitro |
2-Benzoxazolinone (0.1-5 mM) causes oxidative stress in mung beans by generating reactive oxygen species (ROS) and increasing the activity of several scavenging enzymes [2].
In vitro, 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani. It is used in the study of antioxidant activity of heterocyclic chalcones. The compound is used in screening of hydrazines as inhibitors of IDO1 and in the design of NOS inhibitors. Its chemical properties, including its reactivity in hydroxymethylation and chlorination reactions, have been characterized. |
| ln Vivo |
In vivo, 2-Benzoxazolinone has been studied for its anti-leishmanial activity. As a benzoxazinoid phytochemical, it plays roles in plant defense mechanisms. Its potential as an IDO1 inhibitor and NOS inhibitor suggests applications in immune modulation and inflammation research. Further in vivo studies are needed to fully characterize its therapeutic potential. The compound is typically administered orally or via injection in preclinical studies.
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| Enzyme Assay |
In vitro enzyme assays for 2-Benzoxazolinone involve measuring IDO1 inhibition and NOS inhibition. IDO1 activity is assessed by measuring kynurenine production from tryptophan. NOS activity is assessed by measuring nitric oxide production. Anti-leishmanial activity is assessed by measuring inhibition of L. donovani growth and determining LC50 values (40 μg/mL). Antioxidant activity is assessed using DPPH or other free radical scavenging assays. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for 2-Benzoxazolinone are conducted in immune cells and L. donovani cultures. L. donovani parasites are cultured in appropriate media and treated with the compound at varying concentrations. Parasite growth is monitored and LC50 values are determined. For IDO1 and NOS studies, immune cells are treated with the compound and enzyme activity is assessed. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
2-Benzoxazolinone in vivo studies are conducted in animal models of leishmaniasis and inflammation. Animals are infected with L. donovani and treated with 2-Benzoxazolinone via oral administration or injection. Parasite burden in tissues is quantified. For IDO1 and NOS inhibition studies, animal models of immune modulation are used. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biomarker analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
2-Benzoxazolinone (MW 135.12 g/mol, C7H5NO2) is a heterocyclic organic compound. It is also known as BOA, 2(3H)-Benzoxazolone, and Benzoxazolone. The compound appears as a light yellow solid. It is soluble in organic solvents. It is stable under recommended storage conditions. 2-Benzoxazolinone is used in medicinal and agricultural chemistry research.
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| Toxicity/Toxicokinetics |
2-Benzoxazolinone is generally well-tolerated in preclinical studies. The compound is a naturally occurring benzoxazinoid phytochemical. Its anti-leishmanial, IDO1 inhibitory, and NOS inhibitory activities have been demonstrated with acceptable safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References |
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| Additional Infomation |
2-Benzoxazolinone belongs to the benzoxazole class of compounds, with the structure 2,3-dihydro-1,3-benzoxazole, and a carbonyl group at the 2-position. It possesses allelopathic and phytotoxic properties. It has been reported to exist in Acanthus ilicifolius, Grosmannia wageneri, and other organisms with relevant data.
2-Benzoxazolinone (BOA) is a naturally occurring benzoxazinoid phytochemical and anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani. It is used in studies of IDO1 inhibition, NOS inhibition, and antioxidant activity. The compound is a versatile scaffold in medicinal and agricultural chemistry. Its molecular formula is C7H5NO2 with a molecular weight of 135.12 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C7H5NO2
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|---|---|
| Molecular Weight |
135.1201
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| Exact Mass |
135.032
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| CAS # |
59-49-4
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| PubChem CID |
6043
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| Appearance |
Light brown to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
299ºC at 760 mmHg
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| Melting Point |
137-139 °C(lit.)
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| Flash Point |
160 °C
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| Index of Refraction |
1.586
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| LogP |
1.16
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
10
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| Complexity |
158
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ASSKVPFEZFQQNQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
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| Chemical Name |
3H-1,3-benzoxazol-2-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 : ~100 mg/mL (~740.08 mM)
H2O : ~3.85 mg/mL (~28.49 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.50 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 (18.50 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 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (18.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 5 mg/mL (37.00 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.4008 mL | 37.0041 mL | 74.0083 mL | |
| 5 mM | 1.4802 mL | 7.4008 mL | 14.8017 mL | |
| 10 mM | 0.7401 mL | 3.7004 mL | 7.4008 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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