氯美噻唑
| 中文名稱 | 氯美噻唑 |
|---|---|
| 中文同義詞 | 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 |
| 英文名稱 | Clomethiazole |
| 英文同義詞 | 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號 | 533-45-9 |
| 分子式 | C6H8ClNS |
| 分子量 | 161.65 |
| EINECS號 | 208-565-7 |
| 相關(guān)類別 | 對照品;GABA/Glycine receptor |
| Mol文件 | 533-45-9.mol |
| 結(jié)構(gòu)式 |  |
氯美噻唑 性質(zhì)
| 熔點 | 127-128 °C |
|---|---|
| 沸點 | bp7 92° |
| 密度 | d425 1.233 |
| 折射率 | 1.6000 (estimate) |
| 儲存條件 | Inert atmosphere,2-8°C |
| 溶解度 | 可溶于氯仿（少許）、甲醇（少許） |
| 酸度系數(shù)(pKa) | pKa 3.2 (Uncertain) |
| 形態(tài) | 油狀 |
| 顏色 | 淡黃色低 |
| CAS 數(shù)據(jù)庫 | 533-45-9(CAS DataBase Reference) |
| NIST化學(xué)物質(zhì)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-羥乙基噻唑為原料合成5-(2-氯乙基)-4-甲基噻唑的一般步驟如下：參照實施例18，將2-(4-甲基噻唑-5-基)乙醇（500 mg，3.49 mmol）溶于亞硫酰氯（4 mL）中。將反應(yīng)混合物在回流條件下攪拌3小時。反應(yīng)完成后，將混合物濃縮至干，得到淺黃色固體產(chǎn)物（680 mg，收率：98%）。產(chǎn)物經(jīng)ESI-MS分析，顯示m/z：162.0 [M + H]+。
參考文獻(xiàn)：
[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
| 海關(guān)編碼 | 2934100090 |
|---|