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| Other Sizes |
| Targets |
6-Hydroxy-1-tetralone is a synthetic intermediate and fragment molecule rather than a direct pharmacological agent. As a building block, it does not have specific biological receptors as its primary targets. The tetralone scaffold is a privileged structure in medicinal chemistry, and the hydroxyl group provides a handle for further derivatization. The compound can serve as a scaffold for molecular splicing, expansion, and modification, providing a structural basis for the design and screening of novel drug candidates. Its primary applications are as a synthetic intermediate for drug discovery and organic synthesis.
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| ln Vitro |
In vitro, 6-hydroxy-1-tetralone is used as a biochemical reagent and fragment molecule for drug discovery. It serves as a versatile synthetic intermediate in medicinal chemistry and organic synthesis. Cellular assays are typically performed on the final compounds synthesized from this building block rather than on the building block itself. The compound's tetralone scaffold allows for various chemical transformations, including hydroxyl group functionalization and ketone derivatization, making it valuable for drug discovery and chemical synthesis.
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| ln Vivo |
In vivo data for 6-hydroxy-1-tetralone is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. However, pharmaceuticals synthesized using this building block may have various biological activities. The compound's primary value lies in its use as a synthetic intermediate and fragment for drug discovery. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 6-hydroxy-1-tetralone are not typically performed, as it is primarily a synthetic intermediate. The compound is used as a building block in organic synthesis to prepare various compounds. A typical assay involves using the compound in chemical reactions, such as hydroxyl group functionalization or ketone derivatization, to prepare final compounds. The compound is dissolved in organic solvents such as DMSO or ethanol. The resulting products can be evaluated for biological activity. Enzyme inhibition or receptor binding assays can be performed on the final synthesized compounds. IC₅₀ or binding affinity values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 6-hydroxy-1-tetralone are not standard, as the compound is primarily a synthetic intermediate. The compound is used in the preparation of various pharmaceuticals. A typical protocol for evaluating the biological activity of synthesized compounds involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with synthesized compounds at varying concentrations for 24-72 hours. Cell viability, proliferation, or specific signaling readouts are assessed. IC₅₀ or EC₅₀ values are calculated from dose-response curves. The compound itself is not typically tested in cellular assays.
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| Animal Protocol |
In vivo animal studies for 6-hydroxy-1-tetralone are not standard, as it is a synthetic intermediate rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on the final pharmaceuticals synthesized using this building block. These studies would evaluate efficacy, pharmacokinetics, and safety in appropriate animal models. The compound's primary value lies in its use as a synthetic intermediate and fragment for drug discovery.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 6-hydroxy-1-tetralone is limited, as it is primarily a research reagent. The compound has a molecular weight of 162.19 g/mol and a molecular formula of C₁₀H₁₀O₂. It appears as a solid at room temperature. As a phenolic compound, it may undergo metabolic conjugation (glucuronidation, sulfation) and oxidation. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
6-Hydroxy-1-tetralone is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values are available in the public domain.
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| Additional Infomation |
6-Hydroxy-1-tetralone (6-Hydroxy-3,4-dihydronaphthalen-1(2H)-one, CAS 3470-50-6) is a biochemical reagent with the molecular formula C₁₀H₁₀O₂ and a molecular weight of 162.19 g/mol. It serves as a versatile synthetic intermediate in medicinal chemistry and organic synthesis. The compound is classified as a research-use-only reagent and is available from multiple commercial suppliers.
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| Molecular Formula |
C10H10O2
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|---|---|
| Molecular Weight |
162.19
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| Exact Mass |
162.068
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| CAS # |
3470-50-6
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| PubChem CID |
4679494
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| Appearance |
Brown to reddish brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
358.0±31.0 °C at 760 mmHg
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| Melting Point |
154-157 °C(lit.)
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| Flash Point |
152.6±17.4 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.603
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| LogP |
2.37
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
188
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C([H])=C([H])C(=C([H])C=2C([H])([H])C([H])([H])C1([H])[H])O[H]
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| InChi Key |
FNSQPQKPPGALFA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
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| Chemical Name |
6-hydroxy-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 (~616.6 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (30.83 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1656 mL | 30.8280 mL | 61.6561 mL | |
| 5 mM | 1.2331 mL | 6.1656 mL | 12.3312 mL | |
| 10 mM | 0.6166 mL | 3.0828 mL | 6.1656 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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