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| Targets |
1-Bromoadamantane is a synthetic intermediate with biological activities attributed to the adamantane scaffold. The compound shows some anti-viral activity due to the adamantane structure and also shows anti-microbial activity and cytotoxic applications. As a building block, its primary targets are not specific receptors but rather the chemical functionalities that enable it to serve as a precursor for bioactive molecules. The adamantane scaffold is a privileged structure in medicinal chemistry, found in antiviral drugs such as amantadine and rimantadine, and in other therapeutic agents.
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| ln Vitro |
1-Bromodadamantane is a crucial bridge utilized in the production of pharmaceuticals and novel materials.
In vitro, 1-bromoadamantane is used as a biochemical reagent and organic compound for biomedical research. It is an important intermediate used in synthesizing medicines and new materials. The compound shows anti-microbial activity and cytotoxic applications. Cellular assays may evaluate its antimicrobial activity or cytotoxicity against cancer cell lines. The compound's adamantane scaffold allows for various chemical transformations, making it valuable for drug discovery, medicinal chemistry, and materials science. |
| ln Vivo |
In vivo, 1-bromoadamantane is a key intermediate for the synthesis of amantadine hydrochloride, an antiviral drug used for the treatment of influenza A and Parkinson's disease. The adamantane scaffold imparts antiviral activity to its derivatives. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications as a standalone compound. Its primary value lies in its use as a synthetic intermediate for preparing antiviral and other pharmaceutical compounds.
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| Enzyme Assay |
In vitro antimicrobial assays for 1-bromoadamantane typically evaluate its activity against various bacterial and fungal strains. A standard protocol involves culturing microbial strains in appropriate growth medium. The compound is dissolved in DMSO or ethanol and diluted to working concentrations. Antimicrobial activity is assessed by measuring minimum inhibitory concentration (MIC) using broth microdilution or agar diffusion methods. Cytotoxicity assays involve culturing cancer cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound for 24-72 hours. Cell viability is assessed using MTT or similar assays. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 1-bromoadamantane typically evaluate its cytotoxic or antimicrobial activity. A standard protocol involves culturing appropriate cell lines (e.g., cancer cell lines for cytotoxicity, bacterial or fungal cultures for antimicrobial activity) in appropriate growth medium. Cells are treated with varying concentrations of the compound for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or similar assays for cytotoxicity. Antimicrobial activity is assessed by measuring optical density or by colony counting. IC₅₀ or MIC values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 1-bromoadamantane 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 pharmaceutical compounds synthesized using this building block, such as amantadine. 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.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1-bromoadamantane is limited, as it is primarily a research reagent. The compound has a molecular weight of 215.13 g/mol and a molecular formula of C₁₀H₁₅Br. It is a solid at room temperature and is stored at room temperature in a cool, dark place. As a brominated adamantane, it may undergo metabolic dehalogenation and oxidation. The compound is insoluble in water but soluble in organic solvents. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
1-Bromoadamantane 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 |
See also: 2-bromoadamantane (note moved to).
1-Bromoadamantane (1-Adamantyl bromide, CAS 768-90-1) is a biochemical reagent with the molecular formula C₁₀H₁₅Br. It is an important intermediate used in synthesizing medicines and new materials and is a key intermediate for the synthesis of the antiviral drug amantadine hydrochloride. The compound shows anti-viral, anti-microbial, and cytotoxic activities. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. |
| Molecular Formula |
C10H15BR
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|---|---|
| Molecular Weight |
215.13
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| Exact Mass |
214.035
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| CAS # |
768-90-1
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| PubChem CID |
79106
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| Appearance |
White to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
240.5±9.0 °C at 760 mmHg
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| Melting Point |
116-118 °C(lit.)
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| Flash Point |
96.4±8.4 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
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| Index of Refraction |
1.587
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| LogP |
4.03
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
144
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC12CC3CC(C2)CC(C3)C1
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| InChi Key |
VQHPRVYDKRESCL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
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| Chemical Name |
1-bromoadamantane
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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 | 4.6484 mL | 23.2418 mL | 46.4835 mL | |
| 5 mM | 0.9297 mL | 4.6484 mL | 9.2967 mL | |
| 10 mM | 0.4648 mL | 2.3242 mL | 4.6484 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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