5-[2-(dimethylsulfamoylamino)ethyl]-1H-imidazole

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 5-[2-(dimethylsulfamoylamino)ethyl]-1H-imidazole
• 化学式: C₇H₁₄N₄O₂S
• 分子量: 218.28
• InChiKey: LJKKOHKPWLTTPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  78.09
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  组胺 在 盐酸 、 三乙胺 、 肼 作用下， 以 1,4-二氧六环 、 乙醇 、 甲苯 、 乙腈 为溶剂， 反应 13.0h， 生成 5-[2-(dimethylsulfamoylamino)ethyl]-1H-imidazole
  参考文献：
  名称：

  Novel carbonic anhydrase isozymes I, II and IV activators incorporating sulfonyl-histamino moieties

  摘要：

  Sulfonylamido(ureido) derivatives of histamine were synthesized by an original procedure in order to obtain tight-binding activators of the zinc enzyme carbonic anhydrase (CA), exploiting the binding energy of the alkyl/arylsulfonyl moieties with amino acid residues at the entrance of the active site. In contrast to the lead molecule, histamine, the new derivatives possessed higher affinity for three different CA isozymes, as evidenced by compairing the affinity constants of these compounds for isozyme CA II. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00310-8

文献信息

• Novel carbonic anhydrase isozymes I, II and IV activators incorporating sulfonyl-histamino moieties
  作者：Fabrizio Briganti、Andrea Scozzafava、Claudiu T. Supuran

  DOI：10.1016/s0960-894x(99)00310-8

  日期：1999.7

  Sulfonylamido(ureido) derivatives of histamine were synthesized by an original procedure in order to obtain tight-binding activators of the zinc enzyme carbonic anhydrase (CA), exploiting the binding energy of the alkyl/arylsulfonyl moieties with amino acid residues at the entrance of the active site. In contrast to the lead molecule, histamine, the new derivatives possessed higher affinity for three different CA isozymes, as evidenced by compairing the affinity constants of these compounds for isozyme CA II. (C) 1999 Elsevier Science Ltd. All rights reserved.