| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3-Hydroxy-1-adamantanecarboxylic acid does not have a defined primary pharmacological target as it is a synthetic intermediate and fragment molecule. The compound is used in the synthesis of potent pyridyl amide/sulfonamide inhibitors of 11β-HSD-1 (11-beta-hydroxysteroid dehydrogenase type 1), which could be applied to the treatment of ulcers or in hormone therapy treatments relating to cortisol. As a scaffold, it provides a structural basis for designing novel drug candidates targeting various enzymes and receptors.
|
|---|---|
| ln Vitro |
No direct in vitro pharmacological activity data are available for 3-Hydroxy-1-adamantanecarboxylic acid as it is a synthetic intermediate. In research settings, the compound is used as a fragment molecule and building block for synthesizing libraries of adamantane-based compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility, scaffold value, and reactivity rather than direct biological activity. The compound is commonly used in drug discovery and drug synthesis research.
|
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 3-Hydroxy-1-adamantanecarboxylic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals for pharmacological evaluation. Its derivatives, particularly 11β-HSD-1 inhibitors synthesized from this compound, may be evaluated in animal models of metabolic disorders, ulcers, and hormone-related conditions.
|
| Enzyme Assay |
For non-cellular assays, 3-Hydroxy-1-adamantanecarboxylic acid 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 esterification, amidation, and coupling reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. The compound has a density of 1.419 g/cm³. Purity is typically ≥95%.
|
| Cell Assay |
For in vitro cell-based studies, 3-Hydroxy-1-adamantanecarboxylic acid is not typically used as a direct test compound. 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 is a solid at room temperature and should be stored in a cool, dry place protected from light and moisture.
|
| Animal Protocol |
For in vivo animal studies, 3-Hydroxy-1-adamantanecarboxylic acid can be formulated using standard injection vehicles such as DMSO:PEG300:Tween 80:Saline (10:40:5:45) or DMSO:Tween 80:Saline (10:5:85) for intravenous, intraperitoneal, intramuscular, or subcutaneous administration. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. The compound is stable at ambient temperature for a few days during shipping.
|
| ADME/Pharmacokinetics |
3-Hydroxy-1-adamantanecarboxylic acid has a molecular weight of 196.25 and molecular formula C11H16O3. It has a density of 1.419 g/cm³. Storage: powder at -20°C for up to 3 years or at 4°C for up to 2 years; in solvent at -80°C for up to 1 year. Shipping with blue ice or at ambient temperature. The compound is soluble in organic solvents but insoluble in water. Melting point: 203-206°C.
|
| Toxicity/Toxicokinetics |
3-Hydroxy-1-adamantanecarboxylic acid is for research use only and not for human therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. Specific LD50 values and detailed toxicological profiles have not been extensively reported. Appropriate personal protective equipment including gloves and safety glasses should be worn when handling the compound. The compound should be handled with care as with all laboratory chemicals.
|
| Additional Infomation |
3-Hydroxy-1-adamantanecarboxylic acid (CAS 42711-75-1) is also known as 3-Hydroxyadamantane-1-carboxylic acid, 1-Carboxy-3-adamantanol, and 3-Carboxy-1-hydroxyadamantane. It is a fragment molecule commonly used in drug discovery and drug synthesis research. The compound serves as a key intermediate in the synthesis of 11β-HSD-1 inhibitors for potential treatment of ulcers and hormone-related conditions. No clinical trials or regulatory approvals for human use exist for this compound as it is a research intermediate.
|
| Molecular Formula |
C11H16O3
|
|---|---|
| Molecular Weight |
196.24
|
| Exact Mass |
196.109
|
| CAS # |
42711-75-1
|
| PubChem CID |
2736518
|
| Appearance |
Off-white to gray solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
357.2±25.0 °C at 760 mmHg
|
| Melting Point |
203 °C
|
| Flash Point |
184.0±19.7 °C
|
| Vapour Pressure |
0.0±1.8 mmHg at 25°C
|
| Index of Refraction |
1.639
|
| LogP |
0.84
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
14
|
| Complexity |
283
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C12C([H])([H])C3([H])C([H])([H])C([H])(C1([H])[H])C([H])([H])C(C(=O)O[H])(C3([H])[H])C2([H])[H]
|
| InChi Key |
CJJMAWPEZKYJAP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
|
| Chemical Name |
3-hydroxyadamantane-1-carboxylic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~509.6 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 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 (25.0 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: ≥ 2.5 mg/mL (12.74 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 (25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0958 mL | 25.4790 mL | 50.9580 mL | |
| 5 mM | 1.0192 mL | 5.0958 mL | 10.1916 mL | |
| 10 mM | 0.5096 mL | 2.5479 mL | 5.0958 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
