5-(diaminomethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]pentanamide | 1613588-93-4

• 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: 5-(diaminomethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]pentanamide
• CAS: 1613588-93-4
• 化学式: C₄₂H₅₆F₆N₁₆O₄
• 分子量: 963.002
• InChiKey: JYDLNBRPIFNKCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  68
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  300
• 氢给体数：
  12
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  C₇₂H₁₀₄F₆N₁₆O₁₆ 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以20%的产率得到5-(diaminomethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-piperazin-1-yl-5-(trifluoromethyl)phenyl]pentanamide
  参考文献：
  名称：

  Hybrid Compounds And Methods Of Making And Using The Same

  摘要：

  本公开提供化合物或其药学上可接受的盐，用于抑制微生物的生长；治疗患有微生物感染、疟疾、粘膜炎、眼部感染、耳部感染、癌症或分枝杆菌感染的哺乳动物；杀灭或抑制疟原虫的生长；抑制分枝杆菌的生长；调节哺乳动物的免疫反应；或对抗非分馏肝素、低分子量肝素或肝素/低分子量肝素衍生物。

  公开号：

  US20140171438A1

文献信息

• [EN] HYBRID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME<br/>[FR] COMPOSÉS HYBRIDES ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：CELLCEUTIX CORP

  公开号：WO2014093231A2

  公开（公告）日：2014-06-19

  The present disclosure provides compounds, or pharmaceutically acceptable salts thereof, for inhibiting the growth of a microbe; treating a mammal having a microbial infection, malaria, mucositis, an ophthalmic infection, an otic infection, a cancer, or a Mycobacterium infection; killing or inhibiting the gr 5 owth of a Plasmodium species; inhibiting the growth of a Mycobacterium species; modulating an immune response in a mammal; or antagonizing unfractionated heparin, low molecular weight heparin, or a heparin/low molecular weight heparin derivative.
• Hybrid Compounds And Methods Of Making And Using The Same
  申请人：Pan Wenxi

  公开号：US20140171438A1

  公开（公告）日：2014-06-19

  The present disclosure provides compounds, or pharmaceutically acceptable salts thereof, for inhibiting the growth of a microbe; treating a mammal having a microbial infection, malaria, mucositis, an ophthalmic infection, an otic infection, a cancer, or a Mycobacterium infection; killing or inhibiting the growth of a Plasmodium species; inhibiting the growth of a Mycobacterium species; modulating an immune response in a mammal; or antagonizing unfractionated heparin, low molecular weight heparin, or a heparin/low molecular weight heparin derivative.

  本公开提供化合物或其药学上可接受的盐，用于抑制微生物的生长；治疗患有微生物感染、疟疾、粘膜炎、眼部感染、耳部感染、癌症或分枝杆菌感染的哺乳动物；杀灭或抑制疟原虫的生长；抑制分枝杆菌的生长；调节哺乳动物的免疫反应；或对抗非分馏肝素、低分子量肝素或肝素/低分子量肝素衍生物。