2,4-Diethyl-5-[1-(1H-imidazol-4-yl)-ethyl]-thiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4-Diethyl-5-[1-(1H-imidazol-4-yl)-ethyl]-thiazole
• 英文别名: 2,4-diethyl-5-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole
• 化学式: C₁₂H₁₇N₃S
• 分子量: 235.353
• InChiKey: AJFNQDLYCHIWHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  2-氯-3-氧代戊酸乙酯 在 盐酸 、 palladium dihydroxide 、 sodium hydroxide 、 草酰氯 、 乙基溴化镁 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 二氯甲烷 、 氯仿 、 苯 为溶剂， 50.0 ℃ 、344.74 kPa 条件下， 反应 3.0h， 生成 2,4-Diethyl-5-[1-(1H-imidazol-4-yl)-ethyl]-thiazole
  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

文献信息

• α₂ Adrenoceptor Agonists as Potential Analgesic Agents. 1. (Imidazolylmethyl)oxazoles and -thiazoles
  作者：Robert E. Boyd、Jeffery B. Press、C. Royce Rasmussen、Robert B. Raffa、Ellen E. Codd、Charlene D. Connelly、Debra J. Bennett、Alex L. Kirifides、Joseph F. Gardocki、Brian Reynolds、John T. Hortenstein、Allen B. Reitz

  DOI：10.1021/jm990005a

  日期：1999.12.1

  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).