N¹-(2,5-Dimethoxy-phenyl)-4-trifluoromethyl-benzene-1,2-diamine | 153935-09-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N¹-(2,5-Dimethoxy-phenyl)-4-trifluoromethyl-benzene-1,2-diamine
• 英文别名: 1-N-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
• CAS: 153935-09-2
• 化学式: C₁₅H₁₅F₃N₂O₂
• 分子量: 312.292
• InChiKey: LJVCJOJYBCVGPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  56.51
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  溴化氰 、 N¹-(2,5-Dimethoxy-phenyl)-4-trifluoromethyl-benzene-1,2-diamine 以 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到NS-649
  参考文献：
  名称：

  Synthesis and biological activity of the neuronal calcium channel blocker 2-amino-1-(2,5-dimethoxyphenyl)-5-trifluoromethyl benzimidazole (NS-649)

  摘要：

  The substituted benzimidazole, NS-649, has been shown to be a blocker of neuronal calcium channels in patch-clamp studies. NS-649 dose-dependently inhibited release of D-aspartate from cerebellar granule neurons. The neuroprotective effect of this compound in in vitro and in vivo models of ischemia was demonstrated.

  DOI：

  10.1016/0960-894x(96)00010-8
• 作为产物：
  描述：

  2,5-二甲氧基苯胺 在 palladium on activated charcoal N-甲基吡咯烷酮 、 氢气 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 N¹-(2,5-Dimethoxy-phenyl)-4-trifluoromethyl-benzene-1,2-diamine
  参考文献：
  名称：

  Synthesis and biological activity of the neuronal calcium channel blocker 2-amino-1-(2,5-dimethoxyphenyl)-5-trifluoromethyl benzimidazole (NS-649)

  摘要：

  The substituted benzimidazole, NS-649, has been shown to be a blocker of neuronal calcium channels in patch-clamp studies. NS-649 dose-dependently inhibited release of D-aspartate from cerebellar granule neurons. The neuroprotective effect of this compound in in vitro and in vivo models of ischemia was demonstrated.

  DOI：

  10.1016/0960-894x(96)00010-8

文献信息

• Synthesis and biological activity of the neuronal calcium channel blocker 2-amino-1-(2,5-dimethoxyphenyl)-5-trifluoromethyl benzimidazole (NS-649)
  作者：Thomas Varming、Palle Christophersen、Arne Møller、Dan Peters、Oskar Axelsson、Elsebet Ø. Nielsen

  DOI：10.1016/0960-894x(96)00010-8

  日期：1996.2

  The substituted benzimidazole, NS-649, has been shown to be a blocker of neuronal calcium channels in patch-clamp studies. NS-649 dose-dependently inhibited release of D-aspartate from cerebellar granule neurons. The neuroprotective effect of this compound in in vitro and in vivo models of ischemia was demonstrated.