| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Benzoylacetone does not have a specific biological target. As a beta-diketone, it can form complexes with metal ions, which may contribute to its biological activities. Benzoylacetone has been shown to have antioxidant activity, which may be related to its ability to scavenge free radicals. The compound's antimicrobial and anticancer activities have also been reported, but the molecular targets are not well-defined.
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|---|---|
| ln Vitro |
Benzyl acetone has unique properties.
In vitro, Benzoylacetone has been shown to have antioxidant activity, as demonstrated by its ability to scavenge free radicals in various assays. The compound has also been shown to have antimicrobial activity against various bacterial and fungal strains. Benzoylacetone has been reported to have anticancer activity against certain cancer cell lines. The compound's biological activities are concentration-dependent. |
| ln Vivo |
In vivo, Benzoylacetone has been studied in animal models for its potential therapeutic applications. The compound has been shown to have hepatoprotective effects in some studies. Benzoylacetone has also been investigated for its anti-inflammatory and analgesic activities. However, the compound is primarily used as a research chemical rather than a therapeutic agent.
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| Enzyme Assay |
In vitro antioxidant assays for Benzoylacetone typically involve measuring its ability to scavenge free radicals, such as DPPH or ABTS radicals. The compound is dissolved in an appropriate solvent and mixed with the radical solution. The decrease in absorbance is measured, and the IC50 value for radical scavenging is determined. The compound's reducing power and metal chelating activity can also be assessed.
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| Cell Assay |
In vitro cell-based studies with Benzoylacetone typically involve cultured cancer cell lines or microbial strains. Cells or microorganisms are treated with Benzoylacetone at various concentrations. Cell viability or microbial growth is assessed using MTT or similar assays. The effect of Benzoylacetone on cell proliferation, apoptosis, and other cellular processes can be evaluated. The compound's antimicrobial activity is assessed by measuring the zone of inhibition or by determining the minimum inhibitory concentration (MIC).
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| Animal Protocol |
In vivo animal studies with Benzoylacetone are limited, as the compound is primarily used as a research chemical. However, the compound has been studied in animal models of liver injury and inflammation. Benzoylacetone is typically administered orally or intraperitoneally. The effect of the compound on liver enzymes, oxidative stress markers, and inflammatory cytokines is assessed. Pharmacokinetic studies are limited.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Benzoylacetone have not been extensively characterized. The compound has a molecular weight of 162.19 g/mol. It is soluble in organic solvents such as ethanol and DMSO. Detailed PK parameters such as half-life, bioavailability, clearance, and volume of distribution have not been reported. Further pharmacokinetic studies are needed.
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| Toxicity/Toxicokinetics |
The toxicity of Benzoylacetone has been evaluated in some studies. The compound has been shown to have relatively low toxicity in animal models at therapeutic doses. However, high doses can cause adverse effects, including hepatotoxicity. Appropriate safety precautions should be taken when handling the compound.
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| Additional Infomation |
Benzoylacetone is a beta-diketone used as a precursor in organic synthesis and as a research chemical. It has been studied for its antioxidant, antimicrobial, and anticancer activities. Benzoylacetone is also used as a ligand in coordination chemistry to form metal complexes. The compound is not an FDA-approved drug and is not commercially available as a pharmaceutical product.
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| Molecular Formula |
C10H10O2
|
|---|---|
| Molecular Weight |
162.18
|
| Exact Mass |
162.068
|
| CAS # |
93-91-4
|
| PubChem CID |
7166
|
| Appearance |
Typically exists as solid at room temperature
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
262.2±13.0 °C at 760 mmHg
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| Melting Point |
54-56 °C(lit.)
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| Flash Point |
96.9±16.8 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.515
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| LogP |
2.52
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
12
|
| Complexity |
178
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(CC(C)=O)C1C=CC=CC=1
|
| InChi Key |
CVBUKMMMRLOKQR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
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| Chemical Name |
1-phenylbutane-1,3-dione
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 6.1660 mL | 30.8299 mL | 61.6599 mL | |
| 5 mM | 1.2332 mL | 6.1660 mL | 12.3320 mL | |
| 10 mM | 0.6166 mL | 3.0830 mL | 6.1660 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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