1-(3,4-difluorophenoxy)-3-{4-[3-(3,4-difluorophenoxy)-2-hydroxypropylamino]piperidin-1-yl}propan-2-ol | 1425504-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3,4-difluorophenoxy)-3-{4-[3-(3,4-difluorophenoxy)-2-hydroxypropylamino]piperidin-1-yl}propan-2-ol
• 英文别名: 1-(3,4-Difluorophenoxy)-3-[[1-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]propan-2-ol
• CAS: 1425504-52-4
• 化学式: C₂₃H₂₈F₄N₂O₄
• 分子量: 472.48
• InChiKey: ZQCHBGCGKOTXQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  74.2
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3,4-二氟苯酚 在 potassium carbonate 作用下， 以 2,2,2-三氟乙醇 、 乙腈 为溶剂， 反应 16.0h， 生成 1-(3,4-difluorophenoxy)-3-{4-[3-(3,4-difluorophenoxy)-2-hydroxypropylamino]piperidin-1-yl}propan-2-ol
  参考文献：
  名称：

  Protecting group-Free Concise Synthesis of (RS)/(S)-Lubeluzole

  摘要：

  Three new, concise, and protecting group-free synthetic routes for (RS)- and (S)-lubeluzole are reported in higher (46-62%) overall yields compared to the reported procedures (6-35%). The key steps involve C-N bond formation via epoxide aminolysis and nucleophilic substitution of 2-chlorobenzothiazole with suitably designed precursor amines and are performed in aqueous medium. Water offers an advantage in promoting the reactions compared to organic solvents and its role Is envisaged as hydrogen-bond mediated electrophile-nucleophile dual activation.

  DOI：

  10.1021/ol302601b

文献信息

• Modulators of cell adhesion, methods and compositions therefor
  申请人：Zonula Incorporated

  公开号：US20190100493A1

  公开（公告）日：2019-04-04

  Compounds with activity as modulators of cell adhesion are disclosed. The compounds are derivatives of piperidin-4-amine. In some embodiments, a compound can be linked to a targeting agent, a pharmaceutically active substance and/or a support material. Methods for enhancing or inhibiting classical cadherin-mediated functions are also disclosed. The compounds can be used for the treatment or prevention of a variety of diseases including cancer. Compositions and devices, including skin patches comprising a compound are also disclosed. In addition, methods of synthesis of the compounds are provided.

  揭示了作为细胞粘附调节剂的化合物。这些化合物是哌啶-4-胺的衍生物。在某些实施例中，化合物可以与靶向剂、药用活性物质和/或支持材料连接。还揭示了增强或抑制经典钙粘蛋白介导功能的方法。这些化合物可用于治疗或预防包括癌症在内的各种疾病。还揭示了包括含有化合物的皮肤贴片在内的组合物和器件。此外，还提供了化合物的合成方法。