N-(3-piperidino-propyl)-β-alanine-nitrile | 189130-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-(3-piperidino-propyl)-β-alanine-nitrile
• 英文别名: N-(3-Piperidino-propyl)-β-alanin-nitril；3-(3-Piperidin-1-ylpropylamino)propanenitrile
• CAS: 189130-04-9
• 化学式: C₁₁H₂₁N₃
• mdl: MFCD20542353
• 分子量: 195.308
• InChiKey: NUQKGFVEAAPQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  39.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-piperidino-propyl)-β-alanine-nitrile 在 镍 氨 、 氢气 作用下， 以 甲醇 、 三乙胺 、 苯 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：

  N-氰乙基哌啶 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 N-(3-piperidino-propyl)-β-alanine-nitrile
  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

文献信息

• N-(Dialkylaminoalkyl)-amides
  作者：R. O. Clinton、U. J. Salvador、S. C. Laskowski

  DOI：10.1021/ja01179a507

  日期：1949.11.19
• Design, synthesis and biological evaluation of 1,3-diaminopropanes: a new class of polyamine analogs as leishmanicidal agents
  作者：Versha Vinay Kumar、Sudhir K. Singh、(Late) S. Sharma、A.P. Bhaduri、Suman Gupta、Alima Zaidi、Suman Tiwari、J.C. Katiyar

  DOI：10.1016/s0960-894x(97)00087-5

  日期：1997.3

  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.