2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide | 866558-69-2

• 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: 2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
• 英文别名: 2,4-dichloro-N-[[4-(6-methylpyridin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
• CAS: 866558-69-2
• 化学式: C₂₂H₂₇Cl₂N₃O₃S
• 分子量: 484.447
• InChiKey: VQUCNBYMIUBVIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 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 2,4-dichloro-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

• Heteroaryl Piperidine Glycine Transporter Inhibitors
  申请人：Blackaby Wesley

  公开号：US20070254880A1

  公开（公告）日：2007-11-01

  The present invention is directed to pyridyl, pyridazinyl, pyrimidinyl and pyrazinyl piperidine compounds that inhibit the glycine transporter GlyT1 and which are useful in the treatment of neurological and psychiatric disorders associated with glycinergic or glutamatergic neurotransmission dysfunction and diseases in which the glycine transporter GlyT1 is involved.

  本发明涉及抑制甘氨酸转运蛋白GlyT1的吡啶基、吡啶并嗪基、嘧啶基和吡嗪基哌啶化合物，这些化合物在治疗与甘氨酸或谷氨酸神经传递功能障碍相关的神经系统和精神疾病以及涉及甘氨酸转运蛋白GlyT1的疾病中具有用途。
• HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS
  申请人：Merck and Co., Inc.

  公开号：EP1729772A2

  公开（公告）日：2006-12-13
• EP1729772A4
  申请人：——

  公开号：EP1729772A4

  公开（公告）日：2009-05-27
• US7825135B2
  申请人：——

  公开号：US7825135B2

  公开（公告）日：2010-11-02
• [EN] HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS<br/>[FR] INHIBITEURS DU TRANSPORTEUR DE GLYCINE A BASE D'HETEROARYLPIPERIDINE
  申请人：MERCK & CO INC

  公开号：WO2005094514A2

  公开（公告）日：2005-10-13

  The present invention is directed to pyridyl, pyridazinyl, pyrimidinyl and pyrazinyl piperidine compounds that inhibit the glycine transporter GlyT1 and which are useful in the treatment of neurological and psychiatric disorders associated with glycinergic or glutamatergic neurotransmission dysfunction and diseases in which the glycine transporter GlyT1 is involved.