| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| Other Sizes |
| Targets |
2-Acetylnaphthalene targets multiple biological pathways. Its antimicrobial activity is attributed to the presence of the reactive unsaturated ketone in chalcone derivatives. Its anticonvulsant activity has been demonstrated in derivatives. The compound serves as an intermediate for DNA gyrase inhibitors. As an endogenous metabolite, it may have physiological roles.
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|---|---|
| ln Vitro |
In vitro, 2-acetylnaphthalene derivatives have demonstrated antimicrobial, anticonvulsant, and cytotoxic activities. The compound is used as a starting material for the synthesis of biologically active derivatives. Its antimicrobial activity is associated with the reactive unsaturated ketone in chalcones derived from it. Cytotoxic effects against cancer cell lines have been investigated.
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| ln Vivo |
In vivo data for 2-acetylnaphthalene are limited. The compound is primarily used as a fragrance, flavoring agent, and chemical intermediate. Its anticonvulsant activity has been demonstrated in derivatives, but the parent compound's in vivo effects are not well characterized. It is not used as a therapeutic agent.
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| Enzyme Assay |
General protocols for antimicrobial activity assays use bacterial and fungal strains. Broth microdilution or agar diffusion methods are employed. Bacterial cultures are grown overnight, diluted, and inoculated into 96-well plates containing serial dilutions of 2-acetylnaphthalene or its derivatives. After incubation at 37°C for 16-24 hours, the MIC is determined. Positive controls (standard antibiotics) and negative controls (solvent only) are included.
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| Cell Assay |
General protocols for anticancer activity assays use various cancer cell lines. Cells are seeded in 96-well plates and treated with various concentrations of 2-acetylnaphthalene or its derivatives for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. The IC50 values are calculated from dose-response curves. Apoptosis is evaluated by caspase-3/7 activity or Annexin V/PI staining. The compound's derivatives have been investigated for cytotoxic effects against cancer cell lines.
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| Animal Protocol |
General protocols for in vivo anticonvulsant activity use the maximal electroshock seizure (MES) test or the pentylenetetrazole (PTZ) seizure test in mice or rats. 2-Acetylnaphthalene or its derivatives are administered intraperitoneally or orally at various doses 30-60 minutes before the test. In the MES test, seizures are induced by corneal or auricular electrodes. The percentage of animals protected from seizures is recorded. In the PTZ test, seizures are induced by PTZ injection, and the latency to seizure and mortality are recorded. ED50 values are calculated from dose-response data.
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| ADME/Pharmacokinetics |
2-Acetylnaphthalene has a molecular weight of 170.21 g/mol (C12H10O). It is used as a flavoring agent in food and as an intermediate in chemical synthesis. Its pharmacokinetic properties have not been extensively characterized. As a small lipophilic molecule, it is expected to be absorbed and distributed to tissues.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-acetylnaphthalene has not been fully characterized. As a flavoring agent used in food, it is generally recognized as safe at low concentrations. However, high concentrations may have adverse effects. The compound should be handled with appropriate safety precautions in the laboratory. Comprehensive toxicological studies are limited.
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| Additional Infomation |
2-Acetylnaphthyl is a naphthone, a compound in which acetyl is substituted at the 2-position of naphthalene. Methyl β-naphthylone is used as a food additive [EAFUS] (“EAFUS: United States Directory of Food Additives. [http://www.eafus.com/]”). Methyl β-naphthylone belongs to the naphthalene class of compounds. These compounds contain a naphthalene ring, which consists of two fused benzene rings.
2-Acetylnaphthalene (CAS 93-08-3) is a fragrance, anticonvulsant, and antimicrobial agent. It is an endogenous metabolite and is used as a flavoring agent in food. It serves as an intermediate in the preparation of piperidinyl pyrazoles as potent DNA gyrase inhibitors. Its derivatives have been investigated for antimicrobial, anticonvulsant, and cytotoxic activities. It has no approved therapeutic indications. |
| Molecular Formula |
C12H10O
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|---|---|
| Molecular Weight |
170.21
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| Exact Mass |
170.073
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| CAS # |
93-08-3
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| PubChem CID |
7122
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
303.0±11.0 °C at 760 mmHg
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| Melting Point |
52-56 °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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| InChi Key |
XSAYZAUNJMRRIR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
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| Chemical Name |
Ethanone, 1-(2-naphthalenyl)-
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| Synonyms |
2 Acetylnaphthalene 2-Acetylnaphthalenebeta-Acetylnaphthalene beta-Naphthyl methyl ketone 2Acetylnaphthalene beta-Acetonaphthalene
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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 (~587.51 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.69 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 (14.69 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 (14.69 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| 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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