(2-Cyano-ethyl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-carbamic acid methyl ester | 189129-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2-Cyano-ethyl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-carbamic acid methyl ester
• CAS: 189129-90-6
• 化学式: C₁₈H₂₆N₄O₂
• 分子量: 330.43
• InChiKey: KDTRJOXIOWRMOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  59.81
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2-Cyano-ethyl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-carbamic acid methyl ester 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 1,3-diaminopropanes: a new class of polyamine analogs as leishmanicidal agents

  摘要：

  Analogs of I,S-diaminopropane as inhibitors for the growth of Leishmania donovani have been synthesized and evaluated,for their antileishmanial activity. Of the many active compounds, 1-(3-N,N-bis methoxycarbonyl guanidino)propyl-4-methylpiperidine piperazine (4e,f) exhibited significant in vivo inhibitory efficacy against L. donovani by oral and intraperitoneal route of administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00087-5
• 作为产物：
  描述：

  3-(4-苯基-1-哌嗪)-1-丙胺 以 甲醇 、 三乙胺 、 苯 为溶剂， 生成 (2-Cyano-ethyl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-carbamic acid methyl ester
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 1,3-diaminopropanes: a new class of polyamine analogs as leishmanicidal agents

  摘要：

  Analogs of I,S-diaminopropane as inhibitors for the growth of Leishmania donovani have been synthesized and evaluated,for their antileishmanial activity. Of the many active compounds, 1-(3-N,N-bis methoxycarbonyl guanidino)propyl-4-methylpiperidine piperazine (4e,f) exhibited significant in vivo inhibitory efficacy against L. donovani by oral and intraperitoneal route of administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00087-5