3-Imidazol-1-ylbenzene-1,2-diamine | 131885-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Imidazol-1-ylbenzene-1,2-diamine
• CAS: 131885-94-4
• 化学式: C₉H₁₀N₄
• 分子量: 174.205
• InChiKey: JJUJHRAMFDLOFO-UHFFFAOYSA-N

物化性质

• 沸点：
  419.5±35.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-吡啶甲醛 、 3-Imidazol-1-ylbenzene-1,2-diamine 生成 4-imidazol-1-yl-2-pyridin-4-yl-1H-benzimidazole
  参考文献：
  名称：

  Cardiotonic agents. Synthesis and cardiovascular properties of novel 2-arylbenzimidazoles and azabenzimidazoles

  摘要：

  Novel 2-arylbenzimidazoles and azabenzimidazoles were synthesized, and their inotropic action was evaluated. Changes in left ventricular pressure, dP/dt max, were measured as an index of cardiac contractility. The structural features that impart optimal inotropic activity are presented. The most potent compounds were evaluated orally in conscious dogs with implanted Konigsberg pressure transducers. To investigate the mechanism of action, the most potent compounds were tested for their calcium-sensitizing properties and their potential for the inhibition of phosphodiesterase. Two compounds, 1 and 4 1, showed interesting in vitro and oral activity without side effects. They have a more potent calcium-sensitizing effect than MCI-154 and are under futher investigation.

  DOI：

  10.1021/jm00101a024
• 作为产物：
  描述：

  3-氯-2-硝基苯甲酸 在 镍 氢氧化钾 、 ammonium hydroxide 、 氯化亚砜 、 氢气 、 溴 作用下， 以 甲醇 、 甲苯 为溶剂， 180.0 ℃ 、101.33 kPa 条件下， 反应 31.58h， 生成 3-Imidazol-1-ylbenzene-1,2-diamine
  参考文献：
  名称：

  Cardiotonic agents. Synthesis and cardiovascular properties of novel 2-arylbenzimidazoles and azabenzimidazoles

  摘要：

  Novel 2-arylbenzimidazoles and azabenzimidazoles were synthesized, and their inotropic action was evaluated. Changes in left ventricular pressure, dP/dt max, were measured as an index of cardiac contractility. The structural features that impart optimal inotropic activity are presented. The most potent compounds were evaluated orally in conscious dogs with implanted Konigsberg pressure transducers. To investigate the mechanism of action, the most potent compounds were tested for their calcium-sensitizing properties and their potential for the inhibition of phosphodiesterase. Two compounds, 1 and 4 1, showed interesting in vitro and oral activity without side effects. They have a more potent calcium-sensitizing effect than MCI-154 and are under futher investigation.

  DOI：

  10.1021/jm00101a024

文献信息

• Verfahren zur Herstellung von Polyurethan-Schaumstoffen in Gegenwart von Aminoalkyl- oder Aminophenyl-imidazolen als Katalysator sowie die Verwendung dieser Katalysatoren zur Herstellung von Polyisocyanat-polyadditionsprodukten
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0677540B1

  公开（公告）日：1999-01-27