| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| Other Sizes |
| Targets |
4-Hydroxy-4-methylcyclohexanone does not target a specific protein or enzyme as a pharmacological agent. Its utility is as a synthetic reagent and chemical intermediate for the preparation of pharmaceutically active compounds. The compound's two functional groups (ketone and tertiary alcohol) provide handles for further chemical transformations, making it valuable in organic synthesis. The compound may be used to synthesize trans-4-amino-1-methylcyclohexanol, which is an intermediate in pharmaceutical synthesis, suggesting that derivatives of this compound may have biological activities.
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|---|---|
| ln Vitro |
The in vitro activity of 4-hydroxy-4-methylcyclohexanone is primarily as a synthetic reagent rather than a pharmacologically active compound. The compound is used in the development of pharmaceuticals, agrochemicals, and fine chemicals. Its utility in stereoselective synthesis and ring-functionalization reactions makes it valuable for preparing enantiomerically enriched compounds. The compound's ketone group can be reduced or undergo nucleophilic addition, while the tertiary alcohol can be converted to various derivatives. No specific pharmacological in vitro activities have been reported.
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| ln Vivo |
4-Hydroxy-4-methylcyclohexanone is not used as a therapeutic agent. Its in vivo utility is limited to its role as a synthetic intermediate in the preparation of pharmaceutical compounds. The compound is not intended for direct therapeutic use.
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| Enzyme Assay |
In vitro assays for 4-hydroxy-4-methylcyclohexanone are not typically performed in the context of enzyme or receptor binding, as the compound is primarily used as a synthetic reagent. However, it could be used as a starting material for the synthesis of compounds that are subsequently tested in biological assays.
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| Cell Assay |
For in vitro cellular experiments, 4-hydroxy-4-methylcyclohexanone is not typically used in cell-based assays. The compound is primarily used as a synthetic intermediate in organic chemistry.
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| Animal Protocol |
In vivo animal experiments with 4-hydroxy-4-methylcyclohexanone are not commonly performed, as the compound is primarily used as a chemical reagent and synthetic intermediate rather than a therapeutic candidate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-hydroxy-4-methylcyclohexanone have not been characterized, as the compound is a research-use synthetic reagent rather than a drug candidate. The compound has a molecular weight of 128.17 g/mol and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
The compound is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
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| References | |
| Additional Infomation |
4-Hydroxy-4-methylcyclohexanone (CAS#: 17429-02-6) is a bifunctional organic compound used as a synthetic reagent in the development of pharmaceuticals, agrochemicals, and fine chemicals. It can be used to synthesize trans-4-amino-1-methylcyclohexanol, an intermediate in pharmaceutical synthesis. The compound has no clinical or therapeutic applications.
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| Molecular Formula |
C7H12O2
|
|---|---|
| Molecular Weight |
128.17
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| Exact Mass |
128.084
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| CAS # |
17429-02-6
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| PubChem CID |
28539
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| Appearance |
White to light yellow <36°C powder,>38°C liquid
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| Density |
1.082g/cm3
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| Boiling Point |
222.1ºC at 760 mmHg
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| Flash Point |
89.3ºC
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| Vapour Pressure |
0.0212mmHg at 25°C
|
| Index of Refraction |
1.486
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| LogP |
0.88
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
|
| Heavy Atom Count |
9
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| Complexity |
119
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1(CCC(=O)CC1)O
|
| InChi Key |
MACNVPBGMHPCML-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3
|
| Chemical Name |
4-hydroxy-4-methylcyclohexan-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 (780.21 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.51 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (19.51 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (19.51 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.8021 mL | 39.0107 mL | 78.0214 mL | |
| 5 mM | 1.5604 mL | 7.8021 mL | 15.6043 mL | |
| 10 mM | 0.7802 mL | 3.9011 mL | 7.8021 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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