2-guanidino-4-(4-imidazolyl)thiazole hydrobromide | 82982-49-8

• 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-guanidino-4-(4-imidazolyl)thiazole hydrobromide
• 英文别名: 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine;hydrobromide
• CAS: 82982-49-8
• 化学式: BrH*C₇H₈N₆S
• 分子量: 289.159
• InChiKey: XFVCDLRNOZHDTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-bromo-1-(4-imidazolyl)ethanone hydrobromide 以60%的产率得到
  参考文献：
  名称：

  LAMATTINA, J. L.;LIPINSKI, C. A.

  摘要：

  DOI：

文献信息

• Bioisosteric prototype design of biaryl imidazolyl and triazolyl competitive histamine H2-receptor antagonists
  作者：Christopher A. Lipinski、John L. LaMattina、P. J. Oates

  DOI：10.1021/jm00161a005

  日期：1986.11

  The structural relationship of the competitive histamine H2-receptor antagonist 3-amino-5-(2-amino-4-pyridyl)-1,2,4-triazole (1) to the agonist histamine and to antagonists of the cimetidine type was explored by the design and synthesis of four series of bioisosterically designed prototypes. Biological data from these series was best interpreted as indicating a similarity between the imidazole moiety of histamine and cimetidine and the 2-amino-4-pyridyl moiety of 1. On the basis of this data, sequential replacement of 2-amino-4-pyridyl by 2-[(dimethylamino)methyl]-5-furyl and 2-guanidino-4-triazolyl moieties led to a structurally more potent series of biaryl histamine H2-receptor antagonists. The best of these, 2-methyl-4-(2-guanidino-4-thiazolyl)imidazole (29, CP-57,361-1) was 120 times more potent as a histamine H2-receptor antagonist than 1.
• 2-Guanidino-4-heteroarylthiazoles and pharmaceutical compositions containing them
  申请人：PFIZER INC.

  公开号：EP0050458B1

  公开（公告）日：1985-01-02
• US4510313A
  申请人：——

  公开号：US4510313A

  公开（公告）日：1985-04-09