1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one | 189129-94-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one
• CAS: 189129-94-0
• 化学式: C₁₃H₂₅N₃O
• 分子量: 239.361
• InChiKey: KUBKNNQMPCOVPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one 在 sodium hydride 作用下， 以 苯 为溶剂， 生成 1-Ethyltetrahydro-3-[3-(4-methyl-1-piperidinyl)propyl]-2(1H)-pyrimidinone
  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-methyl-piperidino)-propionitrile 在 镍 氨 、 氢气 、 sodium methylate 作用下， 以 甲醇 、 三乙胺 、 苯 为溶剂， 生成 1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one
  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

• 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.