3-(1-Dimethylsulfamoyl-1H-imidazol-4-yl)-propionic acid ethyl ester | 176860-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(1-Dimethylsulfamoyl-1H-imidazol-4-yl)-propionic acid ethyl ester
• CAS: 176860-46-1
• 化学式: C₁₀H₁₇N₃O₄S
• 分子量: 275.329
• InChiKey: WHVSIDSRQCKTNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  81.5
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(1-Dimethylsulfamoyl-1H-imidazol-4-yl)-propionic acid ethyl ester 在 肼 作用下， 以 乙醇 为溶剂， 以65%的产率得到4-(2-Hydrazinocarbonyl-ethyl)-imidazole-1-sulfonic acid dimethylamide
  参考文献：
  名称：

  Novel 1, 2, 4-oxadiazoles as potent and selective histamine H3 receptor antagonists

  摘要：

  Replacement of the isothiourea moiety of known histamine H-3 antagonists by certain 5-membered heteroaromatic systems can give compounds with an improved activity profile. One of these, 3-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl] 1,2,4-oxadiazole (GR175737) is a potent, selective, orally active and centally penetrating H-3 antagonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00122-9
• 作为产物：
  描述：

  3-(咪唑-4-基)丙酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-(1-Dimethylsulfamoyl-1H-imidazol-4-yl)-propionic acid ethyl ester
  参考文献：
  名称：

  Novel 1, 2, 4-oxadiazoles as potent and selective histamine H3 receptor antagonists

  摘要：

  Replacement of the isothiourea moiety of known histamine H-3 antagonists by certain 5-membered heteroaromatic systems can give compounds with an improved activity profile. One of these, 3-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl] 1,2,4-oxadiazole (GR175737) is a potent, selective, orally active and centally penetrating H-3 antagonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00122-9