氯美噻唑
| 中文名称 | 氯美噻唑 |
|---|---|
| 中文同义词 | 5-(2-氯乙基)-4-甲基噻唑;5-(2-氯乙基)-4-甲基噻唑 氯美噻唑;氯美噻唑 1G;氯美噻唑;氯甲基噻唑;氯美噻唑,10 MM DMSO 溶液;氯甲唑 |
| 英文名称 | Clomethiazole |
| 英文同义词 | 5-(2-chloroethyl)-4-methylthiazole;CLOMETHIAZOLE;5-(2-Chlorethyl)-4-methylthiaziole hydrochloride;Chlorethiazole;Clomethiazolum;Distraneurin;5-(2-chloroethyl)-4-methyl-1,3-thiazole;chlormethiazole |
| CAS号 | 533-45-9 |
| 分子式 | C6H8ClNS |
| 分子量 | 161.65 |
| EINECS号 | 208-565-7 |
| 相关类别 | 对照品;GABA/Glycine receptor |
| Mol文件 | 533-45-9.mol |
| 结构式 |  |
氯美噻唑 性质
| 熔点 | 127-128 °C |
|---|---|
| 沸点 | bp7 92° |
| 密度 | d425 1.233 |
| 折射率 | 1.6000 (estimate) |
| 储存条件 | Inert atmosphere,2-8°C |
| 溶解度 | 可溶于氯仿（少许）、甲醇（少许） |
| 酸度系数(pKa) | pKa 3.2 (Uncertain) |
| 形态 | 油状 |
| 颜色 | 淡黄色低 |
| CAS 数据库 | 533-45-9(CAS DataBase Reference) |
| NIST化学物质信息 | Clomethiazole(533-45-9) |
Clomethiazole (1 mM), in the absence of GABA, to α1/β1/γ2 or α1/β2/γ2 subunit-containing cells produced large whole-cell currents. Clomethiazole activate GABAA currents in α1/β1/γ2- and α1/β2/γ2-containing cells, with EC 50 values of 0.3 and 1.5 mM, respectively. Clomethiazole (30 μM) at low concentration also potentiates the action of GABA in both cell types, equivalent to a 3-fold increase in potency and up to 1.8-fold increase in maximal current. Clomethiazole inhibits cytochrome P450 isoforms, CYP2A6 and CYP2E1 with IC 50 values of 24 µM and 42 µM, respectively, in human liver microsomes, meanwhile all other isoforms exhibiting values > 300 µM.
137-00-8
533-45-9
以4-甲基-5-羟乙基噻唑为原料合成5-(2-氯乙基)-4-甲基噻唑的一般步骤如下：参照实施例18，将2-(4-甲基噻唑-5-基)乙醇（500 mg，3.49 mmol）溶于亚硫酰氯（4 mL）中。将反应混合物在回流条件下搅拌3小时。反应完成后，将混合物浓缩至干，得到浅黄色固体产物（680 mg，收率：98%）。产物经ESI-MS分析，显示m/z：162.0 [M + H]+。
参考文献：
[1] Patent: US2017/158680, 2017, A1. Location in patent: Paragraph 0385
[2] Journal of the American Chemical Society, 2001, vol. 123, # 6, p. 1017 - 1022
[3] Pharmaceutical Chemistry Journal, 1999, vol. 33, # 12, p. 658 - 660
[4] Journal of the American Chemical Society, 1982, vol. 104, # 18, p. 4934 - 4943
[5] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 22, p. 5988 - 6003
安全信息
| 海关编码 | 2934100090 |
|---|