规格 | 价格 | 库存 | 数量 |
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100mg |
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250mg |
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500mg |
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Other Sizes |
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体外研究 (In Vitro) |
甲醚硫酮可提高谷胱甘肽水平和 II 相解毒酶,是一种利胆剂(一种刺激胆汁生成的药物),也是保护肝脏的 H2S 缓释供体。通过加快肝脏和结肠中致癌物质的解毒速度,茴香三硫酮是一种潜在有用的肺癌化学预防药物,对其他靶器官也具有化学预防作用。脑缺血后,茴香脑三硫酮可以保护血脑屏障的完整性[2]。
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体内研究 (In Vivo) |
当长期用茴香三硫酮治疗时,通过电刺激副交感神经元和注射毛果芸香碱,可以增加大鼠颌下腺唾液的产生。毒蕈碱乙酰胆碱受体随着唾液分泌的增加而增加[3]。
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药代性质 (ADME/PK) |
Absorption, Distribution and Excretion
Although anethole trithione (ATT) has a high lipophilicity (log P = 3.8) and a high intestinal permeability, it has an extremely low water solubility (0.38 ug/ml). This low solubility limits ATT dissolution and bioavailability. Regardless, after ATT was administered to twenty-two healthy Chinese volunteers, the Cmax observed was about 0.98 +/- 0.49 ng/mL and the recorded Tmax was 2.2 +/- 1.9 h. Despite the medication being studied and discussed as early as the 1980s, detailed pharmacokinetic information about it is not readily accessible and limited new pharmacokinetic data has only been determined for the drug for the first time only very recently (as recently as 2007). Despite the medication being studied and discussed as early as the 1980s, detailed pharmacokinetic information about it is not readily accessible and limited new pharmacokinetic data has only been determined for the drug for the first time only very recently (as recently as 2007). Nevertheless, the poor absorption and bioavailability of anethole trithione suggests any kind of volume of distribution measurement may not be entirely accurate. Despite the medication being studied and discussed as early as the 1980s, detailed pharmacokinetic information about it is not readily accessible and limited new pharmacokinetic data has only been determined for the drug for the first time only very recently (as recently as 2007). Regardless, data about the estimated clearance of anethole trithione in the rat model after administration of anethole trithione oral aqueous suspension was observed to be approximately 113.20 +/- 52.37 L/h/kg. Metabolism / Metabolites Anethole trithione (ATT) is metabolized rapidly into 4-hydroxy-anethole trithione via O-demethylation. This metabolite demonstrates similar pharmacological activities to its parent, ATT. It is proposed that such metabolism occurs in liver microsomes, although neither this proposal or by what specific hepatic cytochrome P450 isoform(s) are involved in such metabolism has been formally elucidated. Biological Half-Life Despite the medication being studied and discussed as early as the 1980s, detailed pharmacokinetic information about it is not readily accessible and limited new pharmacokinetic data has only been determined for the drug for the first time only very recently (as recently as 2007). Consequently, after anethole trithione was administered to twenty-two healthy Chinese volunteers, the half-life observed was about 3.78 +/- 2.12 hours. |
毒性/毒理 (Toxicokinetics/TK) |
Protein Binding
Despite the medication being studied and discussed as early as the 1980s, detailed pharmacokinetic information about it is not readily accessible and limited new pharmacokinetic data has only been determined for the drug for the first time only very recently (as recently as 2007). |
参考文献 |
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其他信息 |
Pharmacodynamics
Anethol trithione (ATT) possesses a high lipophilicity (log P = 3.8) but an extremely low water solubility (0.38 ug/mL), which limits its dissolution and absorption. Furthermore, ATT is quickly metabolized into 4-hydroxy-anethole trithione (ATX, which demonstrates a similar pharmacological activity to ATT) by way of O-demethylation. As a consequence, the plasma concentration of ATT is usually fairly low, resulting in a limited oral bioavailability as well. Given this pharmacodynamic profile, there is continued interest and study in developing vehicles with which ATT can be administered in larger availabilities into the body. |
分子式 |
C10H8OS3
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分子量 |
240.35
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精确质量 |
239.973
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CAS号 |
532-11-6
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相关CAS号 |
Anethole;104-46-1
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PubChem CID |
2194
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外观&性状 |
Yellow to orange solid powder
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密度 |
1.4±0.1 g/cm3
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沸点 |
398.1±52.0 °C at 760 mmHg
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熔点 |
23 C
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闪点 |
194.6±30.7 °C
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蒸汽压 |
0.0±0.9 mmHg at 25°C
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折射率 |
1.732
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LogP |
3.39
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tPSA |
105.5
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氢键供体(HBD)数目 |
0
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氢键受体(HBA)数目 |
4
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可旋转键数目(RBC) |
2
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重原子数目 |
14
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分子复杂度/Complexity |
254
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定义原子立体中心数目 |
0
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InChi Key |
KYLIZBIRMBGUOP-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
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化学名 |
5-(4-methoxyphenyl)dithiole-3-thione
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HS Tariff Code |
2934.99.9001
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存储方式 |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
运输条件 |
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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溶解度 (体外实验) |
DMSO : ~12.5 mg/mL (~52.01 mM)
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溶解度 (体内实验) |
配方 1 中的溶解度: ≥ 2.5 mg/mL (10.40 mM) (饱和度未知) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将100 μL 25.0 mg/mL澄清DMSO储备液加入到400 μL PEG300中,混匀;然后向上述溶液中加入50 μL Tween-80+,混匀;加入450 μL生理盐水定容至1 mL。 *生理盐水的制备:将 0.9 g 氯化钠溶解在 100 mL ddH₂O中,得到澄清溶液。 请根据您的实验动物和给药方式选择适当的溶解配方/方案: 1、请先配制澄清的储备液(如:用DMSO配置50 或 100 mg/mL母液(储备液)); 2、取适量母液,按从左到右的顺序依次添加助溶剂,澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明,并不一定代表此产品 的实际溶解配方): 10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline); 假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中,混合均匀/澄清;向上述体系中加入50 μL Tween-80,混合均匀/澄清;然后继续加入450 μL ddH2O (或 saline)定容至 1 mL; 3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例; 4、 如产品在配制过程中出现沉淀/析出,可通过加热(≤50℃)或超声的方式助溶; 5、为保证最佳实验结果,工作液请现配现用! 6、如不确定怎么将母液配置成体内动物实验的工作液,请查看说明书或联系我们; 7、 以上所有助溶剂都可在 Invivochem.cn网站购买。 |
制备储备液 | 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 |
1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;
2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;
3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);
4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。
计算结果:
工作液浓度: mg/mL;
DMSO母液配制方法: mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。
体内配方配制方法:取 μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。
(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
(2) 一定要按顺序加入溶剂 (助溶剂) 。