| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
/ Biotransformation of Anethole / ...Anethole acid ... is the main urinary metabolite. ... Quantitative recovery is possible with the administered dose. Trans-anethole is one of four food additives studied and found to be absorbed primarily from the digestive tract via passive diffusion. Absorption kinetics depend in part on the differences in the compound's lipid solubility coefficient. ...Trans-anethole used in the preparation of anise-flavored alcoholic beverages was studied in rabbits and rats after intravenous and oral administration. Regardless of the route of administration, the substance was rapidly excreted from the animals. After intravenous injection, the substance was mainly concentrated in the liver, lungs, and brain tissue; after oral administration, most of the substance remained in the stomach. Trans-anethole is one of the compounds mainly absorbed from the digestive tract via passive diffusion. Metabolites of anethole in rats have been identified and determined. Most urinary metabolites were also detected in bile. Metabolism/Metabolites Anethole generates p-propenylphenol in rabbits, mice, guinea pigs, and dogs. Anethole is converted to p-propenylphenol in rats. (Data from table) Anethole is converted to anisic acid in humans, rabbits, and rats. Anethole is converted to p-methoxycinnamoyl alcohol in rats. Oxidative demethylation to produce p-hydroxypropenylbenzene and p-hydroxycinnamoyl acid is the main biotransformation pathway of anethole. Compared with allyl compounds, cinnamoyl derivatives with propenyl substituents undergo more extensive metabolism; and β-oxidative metabolism also occurs. |
|---|---|
| Toxicity/Toxicokinetics |
Interactions
Mice treated with 50 mg/kg sodium pentobarbital experienced approximately double the average sleep time compared to those treated with 20 and 50 mg of certain compounds; the effect of anethole was less pronounced. |
| References |
|
| Additional Infomation |
Anethole is a white crystalline or liquid substance with the aroma and sweet taste of anise oil. (NTP, 1992)
Anethole is a monomethoxybenzene, meaning that the methoxybenzene is substituted at the 4-position with a prop-1-en-1-yl group. It is a plant metabolite. Anethole has been reported to exist in plants of the genera Malus, Asarum, and other organisms with relevant data. Anethole is a metabolite found or produced in Saccharomyces cerevisiae. |
| Molecular Formula |
C10H12O
|
|---|---|
| Molecular Weight |
148.21
|
| Exact Mass |
148.088
|
| CAS # |
104-46-1
|
| Related CAS # |
Anethole trithione;532-11-6
|
| PubChem CID |
637563
|
| Appearance |
Colorless to off-white <20°C powder,>21°C liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
237.5±9.0 °C at 760 mmHg
|
| Melting Point |
20-21 °C(lit.)
|
| Flash Point |
90.6±0.0 °C
|
| Vapour Pressure |
0.1±0.5 mmHg at 25°C
|
| Index of Refraction |
1.545
|
| LogP |
3.17
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
121
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1C([H])=C([H])C(C([H])=C([H])C([H])([H])[H])=C([H])C=1[H]
|
| InChi Key |
RUVINXPYWBROJD-ONEGZZNKSA-N
|
| InChi Code |
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
|
| Chemical Name |
1-methoxy-4-[(E)-prop-1-enyl]benzene
|
| Synonyms |
AI3 00380; AI3-00380; Anethole
|
| 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 : ≥ 250 mg/mL (~1686.91 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.87 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 (16.87 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 (16.87 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 | 6.7472 mL | 33.7359 mL | 67.4718 mL | |
| 5 mM | 1.3494 mL | 6.7472 mL | 13.4944 mL | |
| 10 mM | 0.6747 mL | 3.3736 mL | 6.7472 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
