| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
Isoxazole has been used as a BET bromodomain inhibitor. Bicyclic isoxazoles can act as HSP90 inhibitors, and tricyclic isoxazoles show promise as selective multidrug resistance protein (MRP1) inhibitors. Isoxazole can also act as an acetylcholinesterase (AChE) inhibitor. The diverse biological activities of isoxazole derivatives are attributed to their ability to interact with various molecular targets, including enzymes and receptors.
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|---|---|
| ln Vitro |
In vitro studies have demonstrated the broad biological activities of isoxazole and its derivatives. The compound has shown efficacy in enhancing β-cell function in diabetic mouse models. Isoxazole derivatives have been synthesized and evaluated for antitumor, antibacterial, anti-inflammatory, antidiabetic, and cardiovascular effects. Long-term studies have shown that isoxazole maintains its biological activity for several days in vitro.
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| ln Vivo |
In vivo studies have shown that isoxazole can improve β-cell function in a diabetic mouse model. The compound and its derivatives have been evaluated in animal models for various therapeutic applications. Isoxazole has demonstrated efficacy in enhancing β-cell function, suggesting potential for diabetes research. Specific in vivo data for isoxazole itself have been reported in the literature.
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| Enzyme Assay |
For in vitro activity screening, standard assays are used depending on the target. For enzyme inhibition studies, isoxazole derivatives are incubated with the target enzyme and substrate, and activity is measured spectrophotometrically or fluorometrically. IC₅₀ values are calculated from dose-response curves. For binding studies, surface plasmon resonance or other biophysical techniques may be used.
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| Cell Assay |
For in vitro cell-based studies, various cell lines are used depending on the application. Cells are cultured in appropriate media and treated with serial dilutions of isoxazole or its derivatives. Cell viability is assessed using MTT or other assays. Markers of apoptosis, cell cycle progression, or inflammation are measured by Western blotting, flow cytometry, or ELISA.
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| Animal Protocol |
In vivo animal studies for isoxazole typically use mouse models. For diabetes research, mice are treated with isoxazole and β-cell function is assessed. The compound is administered via oral or intraperitoneal routes. Standard protocols for in vivo efficacy studies are described in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of isoxazole have been characterized. As a small molecule with a molecular weight of 69.06 g/mol, it is expected to have good oral bioavailability and membrane permeability. Specific PK parameters such as half-life, clearance, and volume of distribution have not been extensively reported for the parent compound. Derivatives may have optimized PK properties.
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| Toxicity/Toxicokinetics |
Toxicological data for isoxazole are limited. As a heterocyclic compound, it may have low toxicity, though specific toxicological studies have not been extensively reported. Standard safety assessments would be needed for therapeutic development. The compound should be handled with appropriate laboratory precautions.
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| References |
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| Additional Infomation |
Isoxazole is a monocyclic heteroaromatic hydrocarbon with a structure consisting of a five-membered ring containing three carbon atoms, with oxygen and nitrogen atoms adjacent to each other. It is the parent compound of the isoxazole class of compounds. It is a monocyclic heteroaromatic hydrocarbon belonging to the isoxazole class. Isoxazole has been reported to exist in tobacco (Nicotiana tabacum), and relevant data exists. Unlike oxazole compounds where the oxygen and nitrogen atoms are adjacent at positions 1 and 2, isoxazole compounds where the nitrogen atom is located at positions 1 and 3.
Isoxazole is a research compound and drug scaffold used in medicinal chemistry. It is a versatile building block for the synthesis of biologically active molecules. Isoxazole and its derivatives are used in drug discovery programs for various therapeutic areas. No clinical trials have been reported for isoxazole itself, though many derivatives are in development. The compound serves as a valuable research tool for studying heterocyclic chemistry and drug design. |
| Molecular Formula |
C3H3NO
|
|---|---|
| Molecular Weight |
69.06
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| Exact Mass |
69.021
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| CAS # |
288-14-2
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| PubChem CID |
9254
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
95.5±9.0 °C at 760 mmHg
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| Flash Point |
8.9±0.0 °C
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| Vapour Pressure |
51.7±0.2 mmHg at 25°C
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| Index of Refraction |
1.422
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| LogP |
0.08
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
5
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| Complexity |
30.1
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C=CC=N1
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| InChi Key |
CTAPFRYPJLPFDF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
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| Chemical Name |
1,2-oxazole
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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 (~1448.02 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 14.4802 mL | 72.4008 mL | 144.8016 mL | |
| 5 mM | 2.8960 mL | 14.4802 mL | 28.9603 mL | |
| 10 mM | 1.4480 mL | 7.2401 mL | 14.4802 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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