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| Other Sizes |
| Targets |
1-Methoxynaphthalene is used as a substrate to investigate the activity of cytochrome c peroxidase (CcP). It serves as a probe for the peroxygenase activity of this enzyme. By serving as a substrate, it allows researchers to study the enzyme's catalytic mechanism and electron transfer processes.
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| ln Vitro |
In vitro, 1-methoxynaphthalene is primarily used as a probe in enzymatic assays to study the activity of cytochrome c peroxidase (CcP). It is also used as a precursor to synthesize prenyl naphthalen-ols, which themselves show antioxidative activity.
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| ln Vivo |
In vivo data for 1-methoxynaphthalene are limited. A single-dose oral toxicity test in rats was conducted at doses of 0, 500, 1000, and 2000 mg/kg, where it was observed to exert effects on the general condition of the animals. It is not used as a therapeutic agent.
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| Enzyme Assay |
Cell-free assays for 1-methoxynaphthalene are enzymatic. Its primary application is as a substrate in assays to investigate the activity of cytochrome c peroxidase (CcP). The reaction progress can be monitored by measuring the consumption of the substrate or the formation of the hydroxylated product, typically using HPLC or spectrophotometry.
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| Cell Assay |
Cellular assays for 1-methoxynaphthalene are not typical, as it is a chemical tool. It might be used in cell-based studies to evaluate the antioxidant activity of the prenyl naphthalen-ols synthesized from it, but the compound itself is not a direct subject for cellular bioactivity screening.
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| Animal Protocol |
In vivo animal studies for 1-methoxynaphthalene are primarily toxicological. A single-dose oral toxicity test in rats was conducted at doses of 0, 500, 1000, and 2000 mg/kg. The animals were observed for general condition and mortality to determine the lethal dose and toxicity profile.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1-methoxynaphthalene are limited. It is soluble in DMSO. As a small, lipophilic molecule (LogP ~3.1), it is expected to be well-absorbed and widely distributed. It is likely metabolized in the liver via cytochrome P450 enzymes. Standard storage is at -20°C, protected from light.
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| Toxicity/Toxicokinetics |
In a single-dose oral toxicity test in rats, 1-methoxynaphthalene exerted effects on the general condition of the animals at doses of 500, 1000, and 2000 mg/kg. This indicates it has a moderate to high toxicity profile. As a research chemical, it should be handled with care.
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| References |
[1]. Erman JE, et, al. Peroxygenase activity of cytochrome c peroxidase and three apolar distal heme pocket mutants: hydroxylation of 1-methoxynaphthalene. BMC Biochem. 2013 Jul 30;14:19.
[2]. Shindo K, et, al. Production of novel antioxidative prenyl naphthalen-ols by combinational bioconversion with dioxygenase PhnA1A2A3A4 and prenyltransferase NphB or SCO7190. Biosci Biotechnol Biochem. 2011;75(3):505-10. |
| Additional Infomation |
Reports indicate that 1-methoxynaphthalene has been found in Engelhardia roxburghiana, and relevant data is available for reference.
1-Methoxynaphthalene is a research chemical used primarily as a substrate for studying cytochrome c peroxidase (CcP). It is also a key intermediate in organic synthesis for producing various compounds, including prenyl naphthalen-ols with antioxidative activity. It is available from chemical suppliers for research purposes. |
| Molecular Formula |
C11H10O
|
|---|---|
| Molecular Weight |
158.20
|
| Exact Mass |
158.073
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| CAS # |
2216-69-5
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| PubChem CID |
16668
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| Appearance |
Colorless to light yellow liquid（Density：1.09 g/cm3）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
268.3±9.0 °C at 760 mmHg
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| Melting Point |
5 °C
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| Flash Point |
102.3±8.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.604
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| LogP |
3.36
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
144
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C21
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| InChi Key |
NQMUGNMMFTYOHK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
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| Chemical Name |
1-methoxynaphthalene
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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 (632.11 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.80 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 (15.80 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 (15.80 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 | 6.3211 mL | 31.6056 mL | 63.2111 mL | |
| 5 mM | 1.2642 mL | 6.3211 mL | 12.6422 mL | |
| 10 mM | 0.6321 mL | 3.1606 mL | 6.3211 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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