2-[[6-fluoro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride | 1187059-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[[6-fluoro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
• CAS: 1187059-07-9
• 化学式: C₁₈H₁₇FN₆OS*ClH
• 分子量: 420.898
• InChiKey: FDMSGFBYVOKZJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  114.67
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-(5-methoxybenzimidazol-2-ylthio)-6-fluoro-2,3-dihydroinden-1-one hydrobromide 、 肼甲酰亚胺酰胺一氯化氢 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2-[[6-fluoro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
  参考文献：
  名称：

  Synthesis and bioactivity of substituted indan-1-ylideneaminoguanidine derivatives

  摘要：

  In our efforts to discover more potent and lasting NHE1 inhibitors, we designed and synthesized a series of substituted indan-1-ylidene aminoguanidine derivatives (5). NHE1 inhibitory activity of twenty-one compounds 5 was evaluated in a rat platelet swelling assay. It is found that most of the tested compounds possess NHE1 inhibitory effects. 2-(5-methoxybenzimidazol-2-ylthio)-5-chloro-2,3-dihydroinden-1-ylidene aminoguanidine hydrobromide (5m) proved to be sixty-nine times more potent than cariporide. Furthermore, when tested in vivo, compound 5m also displayed superior cardioprotective effects against SD rat myocardial ischemic-reperfusion injury over those of cariporide. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.04.036