| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
No pharmacological targets (e.g., receptors, enzymes) or binding affinity data (IC50, Ki, EC50, DC50) are reported in this study.
2-Acetylfuran does not have a well-defined primary pharmacological target. Its antifungal activity is attributed to inhibition of RNA synthesis. Its antimicrobial properties are due to its ability to disrupt microbial growth and modify enzyme activities critical for bacterial survival. The compound's role as an intermediate in the synthesis of cefuroxime highlights its use as a chemical intermediate rather than a direct therapeutic agent. |
|---|---|
| ln Vitro |
In vitro, 2-acetylfuran has antifungal activity and antimicrobial properties. It inhibits fungal growth in tissue culture by inhibiting RNA synthesis. Its antimicrobial effectiveness is attributed to its ability to disrupt microbial growth and modify enzyme activities critical for bacterial survival. The compound is used as an intermediate in the synthesis of antibiotics and reagents with antiamoebic activity.
|
| ln Vivo |
No in vivo data (animal efficacy, mechanism, etc.) are reported. [1]
In vivo data for 2-acetylfuran are limited. The compound is primarily used as a flavor compound and chemical intermediate. Its in vivo effects have not been extensively studied. The compound is not used as a therapeutic agent. Its antifungal and antimicrobial activities have been demonstrated primarily in vitro. |
| Enzyme Assay |
No enzyme assays (e.g., kinase activity, SPR, ITC, HTRF) are described. The study does not involve any enzyme or receptor binding experiments. [1]
General protocols for antifungal activity assays use broth microdilution or agar diffusion methods with fungal strains such as Candida albicans or Aspergillus niger. Fungal cultures are grown overnight in appropriate media (e.g., Sabouraud dextrose broth). The cultures are diluted and inoculated into 96-well plates containing serial dilutions of 2-acetylfuran. After incubation at 30°C for 24-48 hours, the minimum inhibitory concentration (MIC) is determined. Positive controls (standard antifungals such as amphotericin B or fluconazole) and negative controls (solvent only) are included. |
| Cell Assay |
No cell-based assays (e.g., viability, proliferation, cytotoxicity, immunochemistry) are described. [1]
General protocols for antimicrobial activity assays use bacterial strains (Gram-positive and Gram-negative). Bacterial cultures are grown overnight, diluted, and inoculated into 96-well plates containing serial dilutions of 2-acetylfuran. After incubation at 37°C for 16-24 hours, the MIC is determined. The compound's ability to disrupt microbial growth and modify enzyme activities can be further studied using enzyme activity assays and growth curve analysis. |
| Animal Protocol |
No animal experiments are described. The study uses only in vitro chemical model systems (heating glucose and amino acids in phosphate buffer). [1]
General protocols for in vivo studies of 2-acetylfuran are limited. The compound is primarily used as a flavor compound and chemical intermediate. For toxicological studies, the compound may be administered orally to rodents at various doses. Body weight, clinical signs, and mortality are monitored. However, comprehensive in vivo studies have not been reported. |
| ADME/Pharmacokinetics |
No pharmacokinetic parameters (absorption, distribution, metabolism, excretion, half-life, bioavailability) are reported. [1]
2-Acetylfuran is a furan compound with an acetyl substituent at the 2-position. It is used as a flavor compound and chemical intermediate in the production of the antibiotic cefuroxime. Its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion, have not been extensively characterized. The compound is typically handled as a liquid. |
| Toxicity/Toxicokinetics |
No toxicity/toxicokinetic data (e.g., LD50, organ toxicity, protein binding) are reported. [1]
The toxicity profile of 2-acetylfuran has not been fully characterized. As a flavor compound found in foods, it is likely to have low toxicity at concentrations typically encountered in food. However, high concentrations may cause irritation. The compound should be handled with appropriate safety precautions in the laboratory. Comprehensive toxicological studies are not available. |
| References |
|
| Additional Infomation |
2-Acetylfuran is a furan compound with an acetyl substituent at the 2-position. It is used in the production of the antibiotic cefuroxime (CHEBI:3515). It belongs to the furan class of compounds and is also a methyl ketone and aromatic ketone. 2-Acetylfuran has been reported to be found in corn, trumpet vine, and several other organisms with relevant data.
2-Acetylfuran is a Maillard reaction-derived furanoid flavor compound. Its formation pathways from glucose with various amino acids were studied using carbon module labeling (CAMOLA) with a 1:1 mixture of [¹³C₆]glucose and [¹²C₆]glucose, heated at 145°C for 40 min in phosphate buffer (pH 7.4). With phenylalanine, cysteine, or serine, 2-acetylfuran formed exclusively from intact glucose (1:1 mixture of [¹³C₆] and [¹²C₆] isotopomers). With lysine, alanine, proline, or arginine, about half formed from intact glucose and the other half from fragmentation (mainly [¹³C₃] isotopomer). With glycine, the major fragment was [¹³C₅] 2-acetylfuran, and experiments with [2-¹³C]-glycine confirmed that one carbon (formaldehyde) originated from glycine via Strecker degradation, combining with a C-5 fragment from glucose to form 2-acetylfuran. These results indicate that formation pathways depend on the amino acid present, and competitive reaction cascades govern Maillard reaction product profiles. No pharmacological, toxicological, or clinical information is provided. [1] 2-Acetylfuran (CAS 1192-62-7) is a flavor compound and chemical intermediate. It is isolated from essential oils, sweet corn products, fruits, and flowers and can be formed through the Maillard reaction from glucose and glycine. The compound is used to synthesize the antibiotic cefuroxime and reagents with antiamoebic activity. It has demonstrated in vitro antifungal and antimicrobial activities. It has no approved therapeutic indications. |
| Molecular Formula |
C6H6O2
|
|---|---|
| Molecular Weight |
110.11
|
| Exact Mass |
110.036
|
| CAS # |
1192-62-7
|
| PubChem CID |
14505
|
| Appearance |
Yellow to brown <29°C powder,>30°C liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
183.4±0.0 °C at 760 mmHg
|
| Melting Point |
26-28 °C(lit.)
|
| Flash Point |
71.1±0.0 °C
|
| Vapour Pressure |
0.8±0.3 mmHg at 25°C
|
| Index of Refraction |
1.463
|
| LogP |
0.52
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
8
|
| Complexity |
98.7
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=O)C1=CC=CO1
|
| InChi Key |
IEMMBWWQXVXBEU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
|
| Chemical Name |
2-Furyl methyl ketone
|
| Synonyms |
2-Acetylfuran 2Acetylfuran2 Acetylfuran Acetylfuran NSC 49133NSC 4665
|
| 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 : ~50 mg/mL (~454.09 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.70 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 (22.70 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.0818 mL | 45.4091 mL | 90.8183 mL | |
| 5 mM | 1.8164 mL | 9.0818 mL | 18.1637 mL | |
| 10 mM | 0.9082 mL | 4.5409 mL | 9.0818 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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