N-{6-[4-(4-benzylpiperazine-1-carbonyl)-phenoxy]pyridin-3-yl}-4-trifluoromethylbenzamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-{6-[4-(4-benzylpiperazine-1-carbonyl)-phenoxy]pyridin-3-yl}-4-trifluoromethylbenzamide
• 英文别名: N-[6-[4-(4-benzylpiperazine-1-carbonyl)phenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide
• 化学式: C₃₁H₂₇F₃N₄O₃
• 分子量: 560.576
• InChiKey: FZZLMQOSLZYGTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-苄基哌嗪 、 4-[5-(4-trifluoromethyl-benzoylamino)pyridin-2-yloxy]benzoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-{6-[4-(4-benzylpiperazine-1-carbonyl)-phenoxy]pyridin-3-yl}-4-trifluoromethylbenzamide
  参考文献：
  名称：

  DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS

  摘要：

  本发明的一个目的是提供一种在抗肿瘤活性方面大大改进且安全性优异的药物。根据本发明，提供了一种包含以下一般式（1）所表示的化合物或其盐作为活性成分的药物：[式1]其中X1代表氮原子或基团—CH═，R1代表一个基团-Z-R6，其中Z代表基团—CO—，基团—CH(OH)—或类似的基团，R6代表一个含有1至4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环饱和或不饱和杂环基团，R2代表氢原子或卤原子，Y代表基团—O—，基团—CO—，基团—CH(OH)—或低碳烷基基团，A代表[式2]其中R3代表氢原子、低碳氧基基团或类似基团，p代表1或2，R4代表咪唑基低碳基团或类似基团。

  公开号：

  US20100004438A1

文献信息

• Aromatic Compounds
  申请人：Fukushima Tae

  公开号：US20070270422A1

  公开（公告）日：2007-11-22

  The present invention provides a novel compound, which has an excellent effect of suppressing the generation of collagen and less side effects, with being excellent in terms of safety. The compound of the present invention is represented by the following general formula (1): [wherein X 1 represents a nitrogen atom or a group —CH═; R 1 represents a group -Z-R 6 , wherein Z represents a group —CO—, a group —CH(OH)—, or the like, and R 6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R 2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group —O—, a group —CO—, a group —CH(OH)—, a lower alkylene group, or the like; and A represents a group or the like, wherein R 3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R 4 represents an imidazolyl lower alkyl group or the like.

  本发明提供了一种新型化合物，具有抑制胶原生成的优异效果，并且具有较少的副作用，在安全性方面表现出色。本发明的化合物由以下通式（1）表示：[其中X1代表氮原子或基团—CH═；R1代表基团-Z-R6，其中Z代表基团—CO—、基团—CH(OH)—或类似基团，而R6代表具有1到4个氮原子、氧原子或硫原子的5-到15元的单环、双环或三环、饱和或不饱和杂环基团；R2代表氢原子、卤素原子或低碳链基团；Y代表基团—O—、基团—CO—、基团—CH(OH)—、低碳链基团或类似基团；A代表基团或类似基团，其中R3代表氢原子、低碳醚基团或类似基团，p代表1或2，而R4代表咪唑基低碳基团或类似基团。
• Aromatic compounds for suppressing the generation of collagen
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US08188277B2

  公开（公告）日：2012-05-29

  The present invention provides a novel compound, which has an excellent effect of suppressing the generation of collagen and less side effects, with being excellent in terms of safety. The compound of the present invention is represented by the following general formula (1): [wherein X1 represents a nitrogen atom or a group —CH═; R1 represents a group —Z—R6, wherein Z represents a group —CO—, a group —CH(OH)—, or the like, and R6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group —O—, a group —CO—, a group —CH(OH)—, a lower alkylene group, or the like; and A represents a group or the like, wherein R3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R4 represents an imidazolyl lower alkyl group or the like.

  本发明提供了一种新型化合物，其在安全性方面表现优异，具有抑制胶原生成的出色效果和较少的副作用。本发明的化合物由以下通式（1）表示：[其中X1表示氮原子或基团—CH═；R1表示基团—Z—R6，其中Z表示基团—CO—、基团—CH（OH）—或类似物，R6表示具有1至4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环、饱和或不饱和杂环基团；R2表示氢原子、卤原子或较低的烷基；Y表示基团—O—、基团—CO—、基团—CH（OH）—、较低的烷基或类似物；A表示基团或类似物，其中R3表示氢原子、较低的烷氧基或类似物，p表示1或2，R4表示咪唑基较低烷基基团或类似物。
• Diarylether derivatives as antitumor agents
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US08236826B2

  公开（公告）日：2012-08-07

  An object of the present invention is to provide a medicinal drug much improved in anti tumor activity and excellent in safety. According to the present invention, there is provided a medicinal drug containing a compound represented by the following general formula (1) or a salt thereof as an active ingredient: [Formula 1] wherein X1 represents a nitrogen atom or a group —CH═, R1 represents a group —Z—R6, in which Z represents a group —CO—, a group —CH(OH)— or the like, R6 represents a 5- to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R2 represents a hydrogen atom or a halogen atom, Y represents a group —O—, a group —CO—, a group —CH(OH)— or a lower alkylene group, and A represents [Formula 2] wherein R3 represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R4 represents an imidazolyl lower alkyl group or the like.

  本发明的目的是提供一种在抗肿瘤活性方面得到显著改善且安全性优异的药物。根据本发明，提供了一种含有以下通式（1）所代表的化合物或其盐作为活性成分的药物：[公式1] 其中，X1代表氮原子或基团-CH═，R1代表基团-Z-R6，其中Z代表基团-CO-、基团-CH（OH）-或类似的基团，R6代表具有1到4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环饱和或不饱和杂环基团，R2代表氢原子或卤素原子，Y代表基团-O-、基团-CO-、基团-CH（OH）-或较低的烷基链，A代表[公式2] 其中，R3代表氢原子、较低的烷氧基或类似的基团，p代表1或2，R4代表咪唑基较低烷基基团或类似基团。
• AROMATIC COMPOUND
  申请人：FUKUSHIMA Tae

  公开号：US20120238750A1

  公开（公告）日：2012-09-20

  The compound of the present invention is represented by the following general formula (1): [wherein X 1 represents a nitrogen atom or a group —CH═; R 1 represents a group —Z—R 6 , wherein Z represents a group —CO—, a group —CH(OH)—, or the like, and R 6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R 2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group —O—, a group —CO—, a group —CH(OH)—, a lower alkylene group, or the like; and A represents a group or the like, wherein R 3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R 4 represents an imidazolyl lower alkyl group or the like.

  本发明的化合物由以下通式（1）表示：[其中X1表示氮原子或基团—CH═; R1表示基团—Z—R6，其中Z表示基团—CO—、基团—CH（OH）—或类似物，而R6表示具有1至4个氮原子、氧原子或硫原子的5至15环的单环、双环或三环、饱和或不饱和的杂环基团; R2表示氢原子、卤素原子或较低的烷基链; Y表示基团—O—、基团—CO—、基团—CH（OH）—、较低的烷基链或类似物; A表示基团或类似物，其中R3表示氢原子、较低的烷氧基或类似物，p表示1或2，而R4表示咪唑基较低的烷基链或类似物。
• STAT3/5 activation inhibitor
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2612858A1

  公开（公告）日：2013-07-10

  An object of the present invention is to provide a STAT3/5 activation inhibitor. The present invention provides a STAT3/5 activation inhibitor containing an aromatic compound represented by the general formula or a salt thereof as an active ingredient: wherein X1 represents a nitrogen atom or a group -CH=, R1 represents a group -Z-R6, in which Z represents a group -CO-, a group -CH(OH)- or the like, R6 represents a 5-to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R2 represents a hydrogen atom or a halogen atom, Y represents a group -O-, a group -CO-, a group -CH(OH)- or a lower alkylene group, and A represents a group wherein R3 represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R4 represents an imidazolyl lower alkyl group or the like.

  本发明的目的是提供一种 STAT3/5 活化抑制剂。本发明提供了一种 STAT3/5 活化抑制剂，其活性成分含有通式所代表的芳香族化合物或其盐： 其中 X1 代表氮原子或基团-CH=，R1 代表基团-Z-R6，其中 Z 代表基团-CO-、基团-CH(OH)-或类似基团，R6 代表 5 至 15 元单环、R2 代表氢原子或卤素原子，Y 代表基团 -O-、基团 -CO-、基团 -CH(OH)- 或低级亚烷基，A 代表基团 其中 R3 代表氢原子、低级烷氧基或类似基团，p 代表 1 或 2，R4 代表咪唑低级烷基或类似基团。