N-[2-(4-formylpiperazin-1-yl)phenyl]-N-methylmethanesulfonamide | 916488-37-4

• 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: N-[2-(4-formylpiperazin-1-yl)phenyl]-N-methylmethanesulfonamide
• CAS: 916488-37-4
• 化学式: C₁₃H₁₉N₃O₃S
• 分子量: 297.378
• InChiKey: LYKSKYMACSMFQW-UHFFFAOYSA-N

物化性质

• 沸点：
  497.6±55.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  60.93
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[2-(4-formylpiperazin-1-yl)phenyl]-N-methylmethanesulfonamide 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023
• 作为产物：
  描述：

  4-(2-nitrophenyl)piperazine-1-carbaldehyde 在 palladium on activated charcoal 氢气 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 N-[2-(4-formylpiperazin-1-yl)phenyl]-N-methylmethanesulfonamide
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023