N-(6-{[4-(4-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)phenyl](methyl)amino}pyridin-3-yl)-4-(trifluoromethyl)benzamide | 875674-39-8

• 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: N-(6-{[4-(4-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)phenyl](methyl)amino}pyridin-3-yl)-4-(trifluoromethyl)benzamide
• 英文别名: N-(6-{[4-(4-{2-[4-piperonylpiperazin-1-yl]-2-oxoethyl}piperazin-1-yl)phenyl](methyl)amino}pyridin-3-yl)-4-(trifluoromethyl)benzamide；N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-methylanilino]pyridin-3-yl]-4-(trifluoromethyl)benzamide
• CAS: 875674-39-8
• 化学式: C₃₈H₄₀F₃N₇O₄
• 分子量: 715.775
• InChiKey: HIIQLSJRUGFYCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  52
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• STAT3/5 ACTIVATION INHIBITOR
  申请人：Sekiguchi Kazuo

  公开号：US20120322807A1

  公开（公告）日：2012-12-20

  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 X 1 represents a nitrogen atom or a group —CH═, R 1 represents a group —Z—R 6 , in which Z represents a group —CO—, a group —CH(OH)— or the like, 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 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
• US8236826B2
  申请人：——

  公开号：US8236826B2

  公开（公告）日：2012-08-07
• US8263599B2
  申请人：——

  公开号：US8263599B2

  公开（公告）日：2012-09-11