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| Targets |
1-Acetylnaphthalene has been shown to have antimicrobial activity against a variety of microorganisms. It inhibits the growth of Gram-positive bacteria, Gram-negative bacteria, yeast, and certain fungi. The mechanism of action may involve interaction with active methylene sites on the bacterial cell wall. Derivatives of 1-acetylnaphthalene are used as antituberculosis agents, suggesting activity against Mycobacterium tuberculosis. The compound has also been studied for its effects on the fungus Geotrichum candidum. The compound's antimicrobial properties make it valuable for research applications.
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| ln Vitro |
They are utilized as component parts of spices. Antituberculosis medications are made from their derivatives. Products for home use, cosmetic care, detergents, and soaps are examples of end applications. It is mostly employed as an intermediary in the production of agrochemical and pharmaceutical goods.
In vitro, 1-acetylnaphthalene has demonstrated antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria, yeast, and fungi. The compound is used as a biochemical reagent in various research applications. It is also used as an ingredient in fragrances and its derivatives are used as antituberculosis agents. The compound has been studied for its effects on Geotrichum candidum. Cellular assays typically evaluate its antimicrobial activity. The compound's activity against various microorganisms makes it valuable for studying antimicrobial mechanisms. |
| ln Vivo |
In vivo data for 1-acetylnaphthalene is limited, as it is primarily a research reagent. The compound has been studied for its effects on arthropods, with reported LC₅₀ values of 10 mg/L for Aedes aegypti and >10 mg/L for Aedes taeniorhynchus. The compound is classified for research use only and is not intended for human or veterinary applications. Its antimicrobial and antituberculosis properties suggest potential for in vivo efficacy when incorporated into drug molecules. Specific in vivo data for therapeutic applications is not available in the public literature.
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| Enzyme Assay |
In vitro antimicrobial assays for 1-acetylnaphthalene typically evaluate its activity against various microorganisms. A standard protocol involves culturing bacterial strains (Gram-positive and Gram-negative), yeast, and fungi in appropriate growth medium. The compound is dissolved in an appropriate solvent (e.g., DMSO or ethanol) and diluted to working concentrations (typically 1-1000 μg/mL). Antimicrobial activity is assessed by measuring minimum inhibitory concentration (MIC) using broth microdilution or agar diffusion methods. The zone of inhibition or MIC values are recorded. The compound's activity against fungi can be evaluated using similar methods.
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| Cell Assay |
Cellular assays for 1-acetylnaphthalene typically evaluate its antimicrobial activity. A standard protocol involves culturing bacterial or fungal cells in appropriate growth medium at optimal temperature (37°C for bacteria, 25-30°C for fungi). Cells are treated with varying concentrations of the compound (typically 1-1000 μg/mL) for 24-48 hours. Cell viability is assessed by measuring optical density (OD₆₀₀) or by colony counting. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) are determined. The compound's activity against different microorganisms is compared.
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| Animal Protocol |
In vivo animal studies for 1-acetylnaphthalene are limited. The compound has been studied for its effects on arthropods, with LC₅₀ values of 10 mg/L for Aedes aegypti and >10 mg/L for Aedes taeniorhynchus. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be toxicological evaluations or studies on antimicrobial efficacy. The compound's primary value lies in its use as a building block for pharmaceutical synthesis.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1-acetylnaphthalene is limited, as it is primarily a research reagent. The compound has a molecular weight of approximately 170.21 g/mol. It is stored as a solid at room temperature. As a naphthalene derivative, the compound may undergo metabolic oxidation to naphthol metabolites. The compound's acetyl group may be hydrolyzed in biological systems. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for 1-acetylnaphthalene is limited. The compound has been studied for its effects on arthropods, with LC₅₀ values of 10 mg/L for Aedes aegypti. The compound is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed.
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| Additional Infomation |
1-Acetylnaphthalene (CAS 941-98-0) is a biochemical reagent with antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria, yeast, and fungi. Its derivatives are used as antituberculosis agents. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis.
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| Molecular Formula |
C12H10O
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|---|---|
| Molecular Weight |
170.21
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| Exact Mass |
170.073
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| CAS # |
941-98-0
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| Related CAS # |
1-Acetylnaphthalene-d3;95046-87-0
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| PubChem CID |
13663
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| Appearance |
Colorless to light yellow liquid（Density：1.1251 g/cm³）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
297.0±0.0 °C at 760 mmHg
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| Melting Point |
2040 °C(lit.)
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| Flash Point |
129.5±14.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.615
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
13
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| Complexity |
197
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C)C1C2C(=CC=CC=2)C=CC=1
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| InChi Key |
QQLIGMASAVJVON-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
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| Chemical Name |
1-naphthalen-1-ylethanone
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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 | 5.8751 mL | 29.3755 mL | 58.7510 mL | |
| 5 mM | 1.1750 mL | 5.8751 mL | 11.7502 mL | |
| 10 mM | 0.5875 mL | 2.9375 mL | 5.8751 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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