(4-Methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone | 1246290-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4-Methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
• 英文别名: (4-methylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
• CAS: 1246290-32-3
• 化学式: C₁₇H₂₆N₄O
• 分子量: 302.42
• InChiKey: AMXIWGVKXSBUBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  39.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 1-((吡啶-4-基)甲基)哌啶-4-甲酸乙酯 在 lithium hydroxide 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 水 、 二氯甲烷 为溶剂， 生成 (4-Methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
  参考文献：
  名称：

  The synthesis and structure–activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists

  摘要：

  A structure-activity relationship study of the lead piperazinylcarbonylpiperidine compound 3 resulted in the identification of 4-benzimidazolyl-piperidinylcarbonyl-piperidine 6h as a histamine-3 (H-3) receptor antagonist. Additional optimization of 6h led to the identification of compounds 11i-k with Ki <= 0.5 nM and good in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.052

文献信息

• The synthesis and structure–activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists
  作者：Pauline C. Ting、Joe F. Lee、Margaret M. Albanese、Jie Wu、Robert Aslanian、Leonard Favreau、Cymbelene Nardo、Walter A. Korfmacher、Robert E. West、Shirley M. Williams、John C. Anthes、Maria A. Rivelli、Michel R. Corboz、John A. Hey

  DOI：10.1016/j.bmcl.2010.07.052

  日期：2010.9

  A structure-activity relationship study of the lead piperazinylcarbonylpiperidine compound 3 resulted in the identification of 4-benzimidazolyl-piperidinylcarbonyl-piperidine 6h as a histamine-3 (H-3) receptor antagonist. Additional optimization of 6h led to the identification of compounds 11i-k with Ki <= 0.5 nM and good in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.