| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
cis-Isolimonenol does not have a specific, well-defined pharmacological target as its primary role is as a chemical intermediate. However, it is known for its antimicrobial, antifungal, and anti-inflammatory properties, which are characteristic of many monoterpenoids. Its mechanism of action in these contexts is not fully elucidated.
|
|---|---|
| ln Vitro |
In vitro, cis-isolimonenol is used as a starting material or intermediate in chemical synthesis. Its biological activity, such as antimicrobial or antifungal effects, can be assessed in standard microbiological assays. Its anti-inflammatory activity can be studied in cell-based assays measuring cytokine production.
|
| ln Vivo |
cis-Isolimonenol is not typically used as a therapeutic agent itself. Its primary in vivo relevance is as a component of essential oils, which are used in aromatherapy and traditional medicine. Its metabolism and excretion would be similar to other monoterpenoids.
|
| Enzyme Assay |
Non-cellular assays for cis-isolimonenol are primarily chemical. Its purity and identity are confirmed using techniques like GC-MS and NMR. Its use as a synthetic intermediate is assessed by its ability to undergo desired chemical transformations in multi-step syntheses.
|
| Cell Assay |
In vitro cellular assays for cis-isolimonenol can be conducted to study its anti-inflammatory activity. Immune cells, such as macrophages, are treated with the compound and stimulated with LPS. The production of pro-inflammatory cytokines (e.g., TNF-α, IL-6) is measured by ELISA. Its antimicrobial activity is assessed using standard broth microdilution methods.
|
| Animal Protocol |
In vivo animal experiments with cis-isolimonenol are not commonly performed. Its effects could be studied in animal models of inflammation, where it would be administered, and inflammatory markers would be measured. However, its primary use is as a chemical intermediate, not a therapeutic.
|
| ADME/Pharmacokinetics |
cis-Isolimonenol is a lipophilic liquid with a molecular weight of 152.23. It is soluble in organic solvents. Its pharmacokinetic properties are not well-characterized as it is not a drug.
|
| Toxicity/Toxicokinetics |
cis-Isolimonenol is considered to have low toxicity based on its presence in essential oils. However, comprehensive toxicological data are not extensively published. The compound is intended for research use only and is not approved for human therapeutic use.
|
| References | |
| Additional Infomation |
(1S,4R)-p-menth-2,8-dien-1-ol is a p-menthane monoterpene compound.
cis-Isolimonenol ((1S,4R)-p-Mentha-2,8-dien-1-ol) is a natural monoterpenoid found in essential oils. It is used as a pharmaceutical intermediate for the synthesis of Epidiolex. It has antimicrobial, antifungal, and anti-inflammatory properties. |
| Molecular Formula |
C10H16O
|
|---|---|
| Molecular Weight |
152.23344
|
| Exact Mass |
152.12
|
| CAS # |
22972-51-6
|
| PubChem CID |
11105550
|
| Appearance |
Colorless to light yellow <18°C powder,>18°C liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
216.9±40.0 °C at 760 mmHg
|
| Melting Point |
18 °C
|
| Flash Point |
87.0±19.6 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.495
|
| LogP |
2.7
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
193
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(=C)[C@@H]1CC[C@](C)(O)C=C1
|
| InChi Key |
MKPMHJQMNACGDI-VHSXEESVSA-N
|
| InChi Code |
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1
|
| Chemical Name |
(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
|
| 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 (~656.90 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.42 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 (16.42 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 (16.42 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 | 6.5690 mL | 32.8450 mL | 65.6901 mL | |
| 5 mM | 1.3138 mL | 6.5690 mL | 13.1380 mL | |
| 10 mM | 0.6569 mL | 3.2845 mL | 6.5690 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
