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| Other Sizes |
| Targets |
6-Methoxy-1-tetralone does not have a defined pharmacological target as it is a synthetic intermediate. The compound is used as a precursor for synthesizing tetralone derivatives and other polycyclic compounds that may exhibit biological activity. Derivatives of tetralone are known to interact with various targets including estrogen receptors, dopamine receptors, and enzymes involved in neurotransmitter metabolism. The compound serves as a key building block for drug discovery programs targeting these pathways.
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|---|---|
| ln Vitro |
No direct in vitro pharmacological activity data are available for 6-methoxy-1-tetralone as it is a synthetic intermediate. The compound is used in medicinal chemistry to synthesize libraries of tetralone-based compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. The compound may be used as a starting material for the synthesis of various heterocyclic and fused-ring systems.
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| ln Vivo |
No in vivo pharmacological activity data exist for 6-methoxy-1-tetralone as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the compounds synthesized from it may be evaluated in animal models depending on the therapeutic area. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 6-methoxy-1-tetralone 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 reduction, oxidation, 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-1-tetralone 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 biologically active 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, dry place protected from light and moisture.
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| Animal Protocol |
6-Methoxy-1-tetralone 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, dry place, protected from light and moisture. The compound should be stored in a tightly sealed container. Standard handling procedures for ketones and aromatic compounds should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 6-methoxy-1-tetralone as it is a synthetic intermediate. The compound has a molecular weight of 176.21 and molecular formula C11H12O2. It is a crystalline solid. The compound is stable under recommended storage conditions. Storage: keep in a cool, dry place protected from light and moisture. Purity: typically ≥95% to ≥98%. The compound is supplied for research use only. Solubility: soluble in common organic solvents.
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| Toxicity/Toxicokinetics |
Toxicological data for 6-methoxy-1-tetralone are limited as it is a chemical intermediate. The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported. The compound should be handled with care as with all laboratory chemicals.
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| Additional Infomation |
6-Methoxy-1-tetrahydronaphthone is a member of the tetrahydronaphthyl group of compounds.
6-Methoxy-1-tetralone (CAS 1078-19-9) is a tetralone derivative used as a pharmaceutical intermediate and building block in organic synthesis. It is also known as 6-methoxy-3,4-dihydronaphthalen-1(2H)-one. The compound is used in the synthesis of hormone analogs and other bioactive molecules. It serves as a versatile precursor for constructing complex polycyclic structures. No clinical trials or therapeutic approvals exist; the product is exclusively for research purposes. |
| Molecular Formula |
C11H12O2
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|---|---|
| Molecular Weight |
176.21
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| Exact Mass |
176.083
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| CAS # |
1078-19-9
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| PubChem CID |
14112
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| Appearance |
Solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
312.5±0.0 °C at 760 mmHg
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| Melting Point |
77-79 °C(lit.)
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| Flash Point |
153.4±18.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.549
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| LogP |
2.69
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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 |
1
|
| Heavy Atom Count |
13
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| Complexity |
200
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC2=C(C=C1)C(=O)CCC2
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| InChi Key |
MNALUTYMBUBKNX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
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| Chemical Name |
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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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 (~567.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (28.38 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (28.38 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.6750 mL | 28.3752 mL | 56.7505 mL | |
| 5 mM | 1.1350 mL | 5.6750 mL | 11.3501 mL | |
| 10 mM | 0.5675 mL | 2.8375 mL | 5.6750 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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