(2-Morpholino-5-nitrophenyl)(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)methanone | 1079817-15-4

• 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: (2-Morpholino-5-nitrophenyl)(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
• 英文别名: (2-morpholin-4-yl-5-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• CAS: 1079817-15-4
• 化学式: C₂₂H₂₃F₃N₄O₄
• 分子量: 464.444
• InChiKey: DLSHZTPFENINFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  81.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-吗啉-5-硝基苯甲酸 、 1-(三氟甲基)-2-哌嗪基苯 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2-Morpholino-5-nitrophenyl)(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
  参考文献：
  名称：

  Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors

  摘要：

  Screening of the Roche compound library led to the identification of the benzoylpiperazine 7 as a structurally novel GlyT1 inhibitor. The SAR which was developed in this series resulted in the discovery of highly potent compounds displaying excellent selectivity against the GlyT2 isoform, drug-like properties, and in vivo efficacy after oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.086

文献信息

• Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors
  作者：Emmanuel Pinard、Daniela Alberati、Edilio Borroni、Holger Fischer、Dominik Hainzl、Synèse Jolidon、Jean-Luc Moreau、Robert Narquizian、Matthias Nettekoven、Roger D. Norcross、Henri Stalder、Andrew W. Thomas

  DOI：10.1016/j.bmcl.2008.07.086

  日期：2008.9

  Screening of the Roche compound library led to the identification of the benzoylpiperazine 7 as a structurally novel GlyT1 inhibitor. The SAR which was developed in this series resulted in the discovery of highly potent compounds displaying excellent selectivity against the GlyT2 isoform, drug-like properties, and in vivo efficacy after oral administration. (C) 2008 Elsevier Ltd. All rights reserved.