(4-benzylpiperazin-1-yl)(morpholino)methanone | 77603-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (4-benzylpiperazin-1-yl)(morpholino)methanone
• 英文别名: (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone
• CAS: 77603-64-6
• 化学式: C₁₆H₂₃N₃O₂
• mdl: MFCD01455225
• 分子量: 289.378
• InChiKey: KBXUXGAWLUBXEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-吗啉羧酰胺 、 1-benzyl piperazine dihydrobromide 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 以33%的产率得到(4-benzylpiperazin-1-yl)(morpholino)methanone
  参考文献：
  名称：

  Inhibition of noroviruses by piperazine derivatives

  摘要：

  There is currently an unmet need for the development of small-molecule therapeutics for norovirus infection. The piperazine scaffold, a privileged structure embodied in many pharmacological agents, was used to synthesize an array of structurally-diverse derivatives which were screened for anti-norovius activity in a cell-based replicon system. The studies described herein demonstrate for the first time that functionalized piperazine derivatives possess anti-norovirus activity. Furthermore, these studies have led to the identification of two promising compounds (6a and 9I) that can be used as a launching pad for the optimization of potency, cytotoxicity, and drug-like characteristics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.122

文献信息

• Inhibition of noroviruses by piperazine derivatives
  作者：Dengfeng Dou、Guijia He、Sivakoteswara Rao Mandadapu、Sridhar Aravapalli、Yunjeong Kim、Kyeong-Ok Chang、William C. Groutas

  DOI：10.1016/j.bmcl.2011.10.122

  日期：2012.1

  There is currently an unmet need for the development of small-molecule therapeutics for norovirus infection. The piperazine scaffold, a privileged structure embodied in many pharmacological agents, was used to synthesize an array of structurally-diverse derivatives which were screened for anti-norovius activity in a cell-based replicon system. The studies described herein demonstrate for the first time that functionalized piperazine derivatives possess anti-norovirus activity. Furthermore, these studies have led to the identification of two promising compounds (6a and 9I) that can be used as a launching pad for the optimization of potency, cytotoxicity, and drug-like characteristics. (C) 2011 Elsevier Ltd. All rights reserved.