2-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
• 化学式: C₁₁H₁₃N₃S
• 分子量: 219.31
• InChiKey: QOYQRRQMCISACD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  69.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4(5)-腈甲基咪唑 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 硫代乙酰胺 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 2.0h， 生成 2-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
  参考文献：
  名称：

  α₂ Adrenoceptor Agonists as Potential Analgesic Agents. 1. (Imidazolylmethyl)oxazoles and -thiazoles

  摘要：

  A series of (imidazolylmethyl)oxazoles and -thiazoles were prepared and evaluated as alpha(2) adrenoceptor agonists. These compounds were also tested in in vivo paradigms that are predictive of analgesic activity. Variations in both the imidazole and thiazole portions of the molecule were investigated. Some of the more potent compounds such as 22, 26, 45, and 53 displayed at receptor binding in the 10-20 nM range and also had significant, antinociceptive activity in the mouse abdominal irritant test (MAIT).

  DOI：

  10.1021/jm990005a