(E)-N'-cyano-3-phenyl-N-(quinolin-5-yl)piperazine-1-carboximidamide | 1010739-50-0

• 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: (E)-N'-cyano-3-phenyl-N-(quinolin-5-yl)piperazine-1-carboximidamide
• CAS: 1010739-50-0
• 化学式: C₂₁H₂₀N₆
• 分子量: 356.43
• InChiKey: VBIFNILERIOCHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  76.34
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  藜芦酸 、 (E)-N'-cyano-3-phenyl-N-(quinolin-5-yl)piperazine-1-carboximidamide 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N'-cyano-4-(3,4-dimethoxybenzoyl)-3-phenyl-N-(quinolin-5-yl)piperazine-1-carboximidamide
  参考文献：
  名称：

  Synthesis and in vitro activity of N′-cyano-4-(2-phenylacetyl)-N-o-tolylpiperazine-1-carboximidamide P2X7 antagonists

  摘要：

  A novel series of cyanoguanidine-piperazine P2X(7) antagonists was designed based upon the structure of A-740003. Structure-activity relationship (SAR) studies focused on the piperazine moiety and the right hand side substitution. Compounds were assayed for activity at human and rat P2X7 receptors and compound 29 was found to possess potent activity (IC50 = 30-60 nM) at both species. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.094
• 作为产物：
  描述：

  2-苯基哌嗪 、 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (E)-N'-cyano-3-phenyl-N-(quinolin-5-yl)piperazine-1-carboximidamide
  参考文献：
  名称：

  Synthesis and in vitro activity of N′-cyano-4-(2-phenylacetyl)-N-o-tolylpiperazine-1-carboximidamide P2X7 antagonists

  摘要：

  A novel series of cyanoguanidine-piperazine P2X(7) antagonists was designed based upon the structure of A-740003. Structure-activity relationship (SAR) studies focused on the piperazine moiety and the right hand side substitution. Compounds were assayed for activity at human and rat P2X7 receptors and compound 29 was found to possess potent activity (IC50 = 30-60 nM) at both species. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.094