| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
The compound targets the Trk receptor and functions as a tyrosine-protein inhibitor. It has been studied for its interaction with various proteins, showing potential binding to targets involved in inflammatory pathways. Molecular docking studies suggest that 2-Bromo-6-methoxynaphthalene has low interaction energy and inhibition constants for certain protein targets such as 6QDZ and 2Z7S. Its primary role, however, is as a chemical intermediate rather than a direct therapeutic agent, and its biological activity is often assessed in the context of the final drug products it helps synthesize.
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| ln Vitro |
The molecular docking results indicate that 2-Bromo-6-methoxynaphthalene (2BMN) possesses anti-inflammatory properties[1]. The interaction energy and inhibition constant of 2-bromo-6-methoxynaphthalene for 6QDZ and 2Z7S are low[1].
In vitro studies have demonstrated that 2-Bromo-6-methoxynaphthalene possesses anti-inflammatory properties. Molecular docking results indicate that it has low interaction energy and inhibition constants for specific targets. It is also evaluated for its tyrosine-protein inhibitor properties in cell-free systems. As an intermediate, its in vitro activity is often characterized by its ability to participate in chemical reactions, such as the Heck reaction, to form active pharmaceutical ingredients like Naproxen and Nabumetone. |
| ln Vivo |
In vivo activity is primarily inferred from the pharmacological effects of the drugs synthesized from this intermediate, such as Naproxen and Nabumetone, which are known for their anti-inflammatory and analgesic effects. As a chemical intermediate, 2-Bromo-6-methoxynaphthalene itself is not typically administered in vivo for therapeutic purposes. Its role in drug development is as a building block for the synthesis of active compounds, and its in vivo activity is therefore evaluated through the efficacy of the final drug products.
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| Enzyme Assay |
Cell-free assays for 2-Bromo-6-methoxynaphthalene typically involve molecular docking studies to predict its binding affinity and interaction energy with target proteins. These computational studies use crystal structures of proteins (e.g., 6QDZ and 2Z7S) to model the compound's binding mode and calculate inhibition constants. Additionally, as a chemical intermediate, its purity and identity are confirmed using analytical techniques such as HPLC, NMR, and mass spectrometry. Its physicochemical properties, including LogP (4.14), boiling point (324.7°C), and melting point (106-109°C), are also characterized.
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| Cell Assay |
As a chemical intermediate, 2-Bromo-6-methoxynaphthalene is not typically used in direct cell-based assays for biological activity. However, its potential anti-inflammatory and tyrosine-protein inhibitor properties can be evaluated in cellular models of inflammation or cancer. These assays would involve treating cells with the compound and measuring markers of inflammation or cell proliferation. Its role in cancer research is supported by its use as a precursor in the synthesis of compounds with anticancer activity.
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| Animal Protocol |
In vivo animal experiments are not typically performed with 2-Bromo-6-methoxynaphthalene itself, as it is a synthetic intermediate. The compound's in vivo activity is assessed through the pharmacological evaluation of the final drugs synthesized from it, such as Naproxen and Nabumetone. These drugs are tested in animal models of inflammation and pain to demonstrate their efficacy. The intermediate's role is therefore indirect, contributing to the synthesis of active pharmaceutical ingredients that are subsequently tested in vivo.
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| ADME/Pharmacokinetics |
As a chemical intermediate, the pharmacokinetic properties of 2-Bromo-6-methoxynaphthalene are not typically characterized, as it is not administered as a drug. Its physicochemical properties, such as LogP (4.14), indicate moderate lipophilicity, which is relevant for its role in chemical synthesis and its ability to cross biological membranes if it were to be administered. The compound is stable at room temperature for short periods and is typically stored at -20°C for long-term stability. Its solubility in DMSO and other organic solvents is relevant for its use in chemical reactions.
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| Toxicity/Toxicokinetics |
The toxicity of 2-Bromo-6-methoxynaphthalene is not extensively documented, as it is primarily a synthetic intermediate rather than a therapeutic agent. However, as a brominated aromatic compound, it may pose certain hazards, and standard safety precautions should be taken when handling it. Its potential toxicity is inferred from its chemical structure and the known toxicities of similar compounds. For research purposes, it is typically handled with care, and its use is restricted to laboratory settings. Toxicological data are not a primary focus, as the compound is not intended for human consumption.
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| References | |
| Additional Infomation |
2-Bromo-6-methoxynaphthalene is a key intermediate in the synthesis of important anti-inflammatory drugs, including Naproxen and Nabumetone. It is used in the Heck reaction to form the carbon-carbon bond necessary for the synthesis of these pharmaceuticals. Its role in drug discovery is as a versatile building block, and it has been studied for its potential anti-inflammatory and tyrosine-protein inhibitor properties. It is also utilized in cancer research, where its derivatives may exhibit anticancer activity. The compound is available in high purity (>98%) for research and analytical applications.
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| Molecular Formula |
C11H9BRO
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|---|---|
| Molecular Weight |
237.09
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| Exact Mass |
235.983
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| CAS # |
5111-65-9
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| PubChem CID |
78786
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| Appearance |
White to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
324.7±15.0 °C at 760 mmHg
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| Melting Point |
106-109 °C(lit.)
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| Flash Point |
134.7±6.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.633
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| LogP |
4.14
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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 |
172
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC2=C(C=C1)C=C(C=C2)Br
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| InChi Key |
AYFJBMBVXWNYLT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
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| Chemical Name |
2-bromo-6-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) |
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 | 4.2178 mL | 21.0890 mL | 42.1781 mL | |
| 5 mM | 0.8436 mL | 4.2178 mL | 8.4356 mL | |
| 10 mM | 0.4218 mL | 2.1089 mL | 4.2178 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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