| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
||
| 500mg |
|
||
| Other Sizes |
| ln Vitro |
Enhancing glutathione levels and phase II detoxifying enzymes, amethyletherthione is a choleretic (a medication that stimulates bile production) and slow-release donor of H2S that protects the liver. By accelerating the rate at which carcinogens in the liver and colon are detoxified, anetholetrithione is a potentially useful chemopreventive drug for lung cancer that also has chemopreventive effects on other target organs. Following cerebral ischemia, anethole trithione can preserve the blood-brain barrier's integrity [2].
|
|---|---|
| ln Vivo |
Rat submandibular gland salivary production is increased by electrical stimulation of parasympathetic neurons and injection of pilocarpine when treated chronically with anetholetrithione. Increased muscarinic acetylcholine receptors occur along with increased salivary secretion [3].
|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
While anethole trithione (ATT) exhibits high lipophilicity (log P = 3.8) and high intestinal permeability, its water solubility is extremely low (0.38 ug/ml). This low solubility limits the solubility and bioavailability of ATT. Nevertheless, in 22 healthy Chinese volunteers, after administration of ATT, the observed Cmax was approximately 0.98 ± 0.49 ng/mL, and the recorded Tmax was 2.2 ± 1.9 h. Although this drug has been studied and discussed since the 1980s, detailed pharmacokinetic information has not been readily available, and limited new pharmacokinetic data were only recently established (in 2007). However, the low absorption and bioavailability of anethole trithione indicate that any type of volume of distribution measurement may not be entirely accurate. Although this drug has been studied and discussed since the 1980s, detailed pharmacokinetic information has not been readily available, and limited new pharmacokinetic data were only recently (2007). Nevertheless, the estimated clearance of anethole trithione observed after oral administration of an aqueous suspension to rats was approximately 113.20 ± 52.37 L/h/kg. Metabolites/Metabolites Anethole trithione (ATT) is rapidly metabolized to 4-hydroxyanisole trithione via O-demethylation. This metabolite exhibits pharmacological activity similar to its parent, ATT. Some studies have proposed that this metabolism occurs in hepatic microsomes, but this hypothesis and the specific hepatic cytochrome P450 isoenzymes involved in this metabolism have not been formally elucidated. Biological Half-Life Although this drug was studied and discussed as early as the 1980s, detailed pharmacokinetic information was not readily available, and limited new pharmacokinetic data were only recently (2007). Therefore, after administration of anethole trithione to 22 healthy Chinese volunteers, the observed half-life was approximately 3.78 ± 2.12 hours. |
| Toxicity/Toxicokinetics |
Protein Binding
Although the drug was studied and discussed as early as the 1980s, detailed pharmacokinetic information about it was not readily available, and limited new pharmacokinetic data for the drug were only recently determined (most recently in 2007). |
| References |
|
| Additional Infomation |
Pharmacodynamics
Anethole trithione (ATT) exhibits high lipophilicity (log P = 3.8) but extremely low water solubility (0.38 μg/mL), limiting its dissolution and absorption. Furthermore, ATT is rapidly metabolized to 4-hydroxyanisole trithione (ATX, with similar pharmacological activity to ATT) via O-demethylation. Therefore, ATT plasma concentrations are typically low, resulting in limited oral bioavailability. Given these pharmacodynamic characteristics, researchers continue to focus on developing carriers that can improve the in vivo bioavailability of ATT. |
| Molecular Formula |
C10H8OS3
|
|---|---|
| Molecular Weight |
240.35
|
| Exact Mass |
239.973
|
| CAS # |
532-11-6
|
| Related CAS # |
Anethole;104-46-1
|
| PubChem CID |
2194
|
| Appearance |
Yellow to orange solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
398.1±52.0 °C at 760 mmHg
|
| Melting Point |
23 C
|
| Flash Point |
194.6±30.7 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.732
|
| LogP |
3.39
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
254
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
KYLIZBIRMBGUOP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
|
| Chemical Name |
5-(4-methoxyphenyl)dithiole-3-thione
|
| 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 : ~12.5 mg/mL (~52.01 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.40 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1606 mL | 20.8030 mL | 41.6060 mL | |
| 5 mM | 0.8321 mL | 4.1606 mL | 8.3212 mL | |
| 10 mM | 0.4161 mL | 2.0803 mL | 4.1606 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
