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| Other Sizes |
| Targets |
1-Adamantaneethanol does not have a direct biological target as it is a synthetic intermediate rather than a pharmacologically active compound. Its role is to serve as a building block in organic synthesis, particularly for introducing the adamantyl group into more complex molecules. The adamantane moiety is known for its lipophilicity and bulky structure, which can be used to modify the physicochemical properties of drug candidates. As an intermediate, it is not designed to interact with biological receptors or enzymes.
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| ln Vitro |
1-Adamantaneethanol is a chemical intermediate and does not possess direct in vitro biological activity against any specific target. Its utility is demonstrated in chemical synthesis rather than in biological assays. The compound's purity and identity are confirmed by standard analytical techniques such as GC. Its physical properties, such as melting point (74.0 to 78.0°C), are documented for handling in synthesis. It serves as a precursor for compounds that would subsequently be evaluated for biological activity.
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| ln Vivo |
1-Adamantaneethanol is not a pharmacologically active compound and does not have direct in vivo activity. Its role is confined to chemical synthesis. Any in vivo effects would be attributed to the final drug substance synthesized from this intermediate. The compound itself is not administered to animals for efficacy studies. It is stored and handled based on its chemical properties to maintain stability for use in organic synthesis. It is not intended for biological evaluation in living organisms.
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| Enzyme Assay |
Standard in vitro enzyme/receptor binding assays are not applicable to 1-Adamantaneethanol as it is a synthetic intermediate without biological activity. Quality control for this compound relies on analytical chemistry techniques. Gas Chromatography (GC) is used to assess purity, typically >98.0%. Melting point determination confirms identity and purity. No receptor binding or enzymatic activity assays are performed on this intermediate. Its evaluation is limited to chemical purity and physical properties.
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| Cell Assay |
Cell-based assays are not performed on 1-Adamantaneethanol as it is not a biologically active compound. It is a chemical reagent used in the laboratory for organic synthesis. Its evaluation is limited to chemical purity, identity, and physical properties. It is not subjected to cell culture experiments for efficacy or toxicity. Handling procedures are based on its chemical properties. It is a solid and is stored at room temperature.
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| Animal Protocol |
In vivo animal experiments are not conducted with 1-Adamantaneethanol. This compound is exclusively a synthetic building block used in chemical synthesis. Once a final drug candidate is synthesized from this intermediate, it may be subjected to in vivo studies in animal models. However, the intermediate itself is not administered to animals. All pharmacological evaluation is deferred to the final compound derived from this building block.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to 1-Adamantaneethanol as it is a synthetic reagent, not a therapeutic agent. The compound is a solid with a molecular weight of 180.29. It has a melting point of 74.0 to 78.0°C. It is stored at room temperature. These properties are characterized to facilitate its use in chemical synthesis. No ADME studies are performed on this intermediate as it is not intended for biological administration.
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| Toxicity/Toxicokinetics |
Toxicological data for 1-Adamantaneethanol are not available as it is a research chemical intermediate. Standard laboratory safety precautions for handling chemical reagents should be followed. The compound is not intended for human or animal consumption. Its specific toxicity profile has not been established. Any toxicological assessment would be performed on the final drug candidate, not on this synthetic precursor. It is handled as a potentially hazardous material.
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| References | |
| Additional Infomation |
1-Adamantaneethanol is a synthetic intermediate used in organic synthesis. Its molecular formula is C12H20O, and its molecular weight is 180.29. It is also known as 1-(2-Hydroxyethyl)adamantane or 2-(1-Adamantyl)ethanol. It is used in the synthesis of various compounds, including polymers and phthalocyanines. It is a white to almost white powder with a purity of >98.0%. It is available for research use only.
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| Molecular Formula |
C12H20O
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|---|---|
| Molecular Weight |
180.29
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| Exact Mass |
180.151
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| CAS # |
6240-11-5
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| PubChem CID |
110810
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
275.1±8.0 °C at 760 mmHg
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| Melting Point |
66-69 °C(lit.)
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| Flash Point |
129.0±8.6 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.538
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| LogP |
3.23
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
168
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C2CC3CC1CC(C2)(C3)CCO
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| InChi Key |
ZBIDZPHRNBZTLT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
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| Chemical Name |
2-(1-adamantyl)ethanol
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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) |
Typically soluble in DMSO (e.g. 10 mM)
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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 | 5.5466 mL | 27.7331 mL | 55.4662 mL | |
| 5 mM | 1.1093 mL | 5.5466 mL | 11.0932 mL | |
| 10 mM | 0.5547 mL | 2.7733 mL | 5.5466 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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