N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide | 1146403-55-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
• 英文别名: N-[[4-(6-methylpyridin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
• CAS: 1146403-55-5
• 化学式: C₂₂H₂₉N₃O₃S
• 分子量: 415.557
• InChiKey: LFIJMLWPBMBHJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  {4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl}methylamine 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
  参考文献：
  名称：

  Discovery of N-{[1-(propylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl}benzamides as novel, selective and potent GlyT1 inhibitors

  摘要：

  Employing an iterative analogue library approach, novel potent and selective glycine transporter 1 (GlyT1) inhibitors containing a 4-pyridin-2-ylpiperidine sulfonamide have been discovered. These inhibitors are devoid of time-dependent CYP inhibition activity and exhibit improved aqueous solubility versus the corresponding 4-phenylpiperidine analogues. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.115

文献信息

• Discovery of N-{[1-(propylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl}benzamides as novel, selective and potent GlyT1 inhibitors
  作者：Zhijian Zhao、William H. Leister、Julie A. O’Brien、Wei Lemaire、David L. Williams、Marlene A. Jacobson、Cyrille Sur、Gene G. Kinney、Doug J. Pettibone、Philip R. Tiller、Sheri Smith、George D. Hartman、Craig W. Lindsley、Scott E. Wolkenberg

  DOI：10.1016/j.bmcl.2008.12.115

  日期：2009.3

  Employing an iterative analogue library approach, novel potent and selective glycine transporter 1 (GlyT1) inhibitors containing a 4-pyridin-2-ylpiperidine sulfonamide have been discovered. These inhibitors are devoid of time-dependent CYP inhibition activity and exhibit improved aqueous solubility versus the corresponding 4-phenylpiperidine analogues. (C) 2009 Elsevier Ltd. All rights reserved.