1,4-二(2-哌啶乙基)哌嗪 | 22746-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1,4-二(2-哌啶乙基)哌嗪
• 英文名称: 1,4-bis<2-(1-piperidino)ethyl>piperazine
• 英文别名: 1,4-bis-(2-piperidin-1-yl-ethyl)-piperazine；1,4-Bis-(2-piperidino-aethyl)-piperazin；1,4-Bis(2-piperidinoethyl)piperazine；1,4-bis(2-piperidin-1-ylethyl)piperazine
• CAS: 22746-11-8
• 化学式: C₁₈H₃₆N₄
• 分子量: 308.511
• InChiKey: GXVAJKPDBLJVRM-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 沸点：
  419.5±13.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为产物：
  描述：

  1,4-双(2-羟基乙基)哌嗪 在 氯化亚砜 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 1,4-二(2-哌啶乙基)哌嗪
  参考文献：
  名称：

  Design and Synthesis of RNA-Specific Groove-Binding Cations: Implications for Antiviral Drug Design

  摘要：

  As as initial step in the design of structure-specific RNA-interactive molecules as potential antiviral agents, we have focused on the synthesis of molecules that exhibit strong and preferential binding to duplex RNA. A series of polycationic ligands have been synthesized, and the degree of preferential binding to RNA has initially been determined by thermal denaturation (Delta T-m) with both RNA [poly(A) poly(U)] and DNA [poly(dA).poly(dT)] polymers at a variety of pH values. Seven compounds from the series exhibit a substantial degree of RNA-selective binding. The relatively high Delta T-m values obtained suggest a specific mode of interaction between these ligands and the RNA helix. By contrast, the much lower Delta T-m values with poly(dA) poly(dT) DNA reflect a more nonspecific interaction mode, A viscometric titration study with poly(A) poly(U) confirms that they do not bind by intercalation. The results, combined with the known structure and electronegative potential of duplex RNA, suggest that these molecules bind in the major groove via specific electrostatic and/or hydrogen-bonded interactions.

  DOI：

  10.1021/jm00034a004

文献信息

• Hazard et al., Bulletin de la Societe Chimique de France, 1951, p. 209,211
  作者：Hazard et al.

  DOI：——

  日期：——
• Piperazine derivatives, production thereof and suppositories comprising the same
  申请人：LAB BRUNEAU &

  公开号：US02762744A1

  公开（公告）日：1956-09-11
• Hazard et al., Archives Internationales de Pharmacodynamie et de Therapie, 1950, vol. 84, p. 237,240
  作者：Hazard et al.

  DOI：——

  日期：——
• Design and Synthesis of RNA-Specific Groove-Binding Cations: Implications for Antiviral Drug Design
  作者：Adrian W. McConnaughie、Jaroslaw Spychala、Min Zhao、David Boykin、W. David Wilson

  DOI：10.1021/jm00034a004

  日期：1994.4

  As as initial step in the design of structure-specific RNA-interactive molecules as potential antiviral agents, we have focused on the synthesis of molecules that exhibit strong and preferential binding to duplex RNA. A series of polycationic ligands have been synthesized, and the degree of preferential binding to RNA has initially been determined by thermal denaturation (Delta T-m) with both RNA [poly(A) poly(U)] and DNA [poly(dA).poly(dT)] polymers at a variety of pH values. Seven compounds from the series exhibit a substantial degree of RNA-selective binding. The relatively high Delta T-m values obtained suggest a specific mode of interaction between these ligands and the RNA helix. By contrast, the much lower Delta T-m values with poly(dA) poly(dT) DNA reflect a more nonspecific interaction mode, A viscometric titration study with poly(A) poly(U) confirms that they do not bind by intercalation. The results, combined with the known structure and electronegative potential of duplex RNA, suggest that these molecules bind in the major groove via specific electrostatic and/or hydrogen-bonded interactions.