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| Other Sizes |
| Targets |
6'-Methoxy-2'-acetonaphthone does not have a defined pharmacological target as it is a synthetic intermediate. The compound is used as a precursor for the synthesis of naproxen and nabumetone, which are NSAIDs that target cyclooxygenase (COX) enzymes. Naproxen acts as a non-selective COX inhibitor, reducing prostaglandin synthesis and exerting anti-inflammatory, analgesic, and antipyretic effects. The compound itself is not a therapeutic agent.
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| ln Vitro |
Naproxen and 2-acetyl-6-methoxynaphthalene are essential intermediates in the production of nonsteroidal anti-inflammatory medications.
No direct in vitro pharmacological activity data are available for 6'-methoxy-2'-acetonaphthone as it is a synthetic intermediate. The compound is used in medicinal chemistry as a building block for synthesizing NSAIDs and other bioactive molecules. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. The compound serves as a key precursor in the industrial synthesis of pharmaceutical compounds. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 6'-methoxy-2'-acetonaphthone as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives, particularly naproxen and nabumetone, have well-established in vivo activities in animal models of inflammation and pain. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 6'-methoxy-2'-acetonaphthone is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions including oxidation, reduction, and condensation reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is typically ≥95% to ≥98%. The compound is a solid at room temperature.
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| Cell Assay |
6'-Methoxy-2'-acetonaphthone is not typically used in direct cell-based assays as it is a chemical intermediate. The compound is used as a building block for synthesizing NSAIDs and other bioactive molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dark place at room temperature (<15°C).
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| Animal Protocol |
6'-Methoxy-2'-acetonaphthone is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories for organic synthesis applications. Storage: keep in a cool, dark place at room temperature (recommended <15°C). The compound should be stored in a tightly sealed container. Standard handling procedures for naphthalene derivatives and ketones should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 6'-methoxy-2'-acetonaphthone as it is a synthetic intermediate. The compound has a molecular weight of 200.24 and molecular formula C13H12O2. It is a solid at 20°C. Storage: room temperature in a cool and dark place (<15°C). The compound has XLogP of 3.2, 0 hydrogen bond donors, 2 hydrogen bond acceptors, and 2 rotatable bonds. Exact mass is 200.0837 Da.
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| Toxicity/Toxicokinetics |
6'-Methoxy-2'-acetonaphthone is a research reagent and not for human therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. Specific LD50 values and detailed toxicological profiles have not been extensively reported. Appropriate personal protective equipment including gloves and safety glasses should be worn. The compound should be handled with care as with all laboratory chemicals.
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| Additional Infomation |
6'-Methoxy-2'-acetonaphthone (CAS 3900-45-6) is also known as 2-acetyl-6-methoxynaphthalene and 1-(6-methoxynaphthalen-2-yl)ethanone. It is a key intermediate in the synthesis of the NSAIDs naproxen and nabumetone. The compound has a PubChem CID of 77506. No clinical trials or therapeutic approvals exist for the parent compound; it is a research intermediate. The product is supplied as a research-grade reagent.
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| Molecular Formula |
C13H12O2
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|---|---|
| Molecular Weight |
200.23
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| Exact Mass |
200.083
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| CAS # |
3900-45-6
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| PubChem CID |
77506
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| Appearance |
White to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
343.4±15.0 °C at 760 mmHg
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| Melting Point |
107-109 °C(lit.)
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| Flash Point |
158.9±13.9 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.594
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| LogP |
2.81
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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 |
2
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| Heavy Atom Count |
15
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| Complexity |
237
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
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| InChi Key |
GGWCZBGAIGGTDA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
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| Chemical Name |
1-(6-methoxynaphthalen-2-yl)ethanone
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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 | 4.9943 mL | 24.9713 mL | 49.9426 mL | |
| 5 mM | 0.9989 mL | 4.9943 mL | 9.9885 mL | |
| 10 mM | 0.4994 mL | 2.4971 mL | 4.9943 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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