(9ci)-2-(氨基磺酰基)-1H-咪唑-4-羧酸 | 103054-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (9ci)-2-(氨基磺酰基)-1H-咪唑-4-羧酸
• 英文名称: 2-sulfamoyl-4-imidazolecarboxylic acid
• 英文别名: 2-sulfamoyl-1H-imidazole-5-carboxylic acid
• CAS: 103054-45-1
• 化学式: C₄H₅N₃O₄S
• 分子量: 191.167
• InChiKey: XRQNHQCPCJANBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-苄基哌嗪 、 (9ci)-2-(氨基磺酰基)-1H-咪唑-4-羧酸 在 吡啶 、 三氯化磷 作用下， 生成 4-(4-Benzyl-piperazine-1-carbonyl)-1H-imidazole-2-sulfonic acid amide
  参考文献：
  名称：

  Synthesis and inhibitory activity on carbonic anhydrase of some new sulpiride analogs studied by means of a new method

  摘要：

  The pharmacological activity of several new sulpiride analogues was studied by means of a new approach, based on a potentiometric technique with a pCO2 sensor, capable of detecting carbonic anhydrase inhibition at equilibrium conditions. This procedure gives results stated as percent of inhibition of enzymatic activity (IP, inhibitory power). To prove the reliability of the proposed approach and to study structure-activity relationships, several new molecules were synthesized and tested in comparison with the two sulpiride enantiomers. A possible inhibition mechanism is discussed in terms of experimental evidence obtained from the interactions between the molecular structures of the new synthesized compounds and carbonic anhydrase.

  DOI：

  10.1021/jm00160a003