N-(5-{1-[bis(3,3,3-trifluoropropyl)amino]ethyl}-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide | 1059733-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(5-{1-[bis(3,3,3-trifluoropropyl)amino]ethyl}-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
• 英文别名: N-[5-[1-[bis(3,3,3-trifluoropropyl)amino]ethyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
• CAS: 1059733-93-5
• 化学式: C₃₆H₃₃F₆N₅O
• 分子量: 665.681
• InChiKey: DFPYAQAEAOTHOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• INHIBITORS OF HEDGEHOG PATHWAY
  申请人：Bahceci Suleyman

  公开号：US20090105211A1

  公开（公告）日：2009-04-23

  The present invention is directed to a compound of Formula I or a single isomer thereof; where the compound is optionally as a pharmaceutically acceptable salt, hydrate, solvate or combination thereof, in addition to methods of preparing a Compound of Formula I, and methods of using a Compound of Formula I to treat cancer.

  本发明涉及公式I的化合物或其单一异构体；其中化合物可以选择作为药物可接受的盐、水合物、溶剂合物或其组合物，此外还涉及制备公式I的化合物的方法，以及使用公式I的化合物治疗癌症的方法。
• INHIBITORS OF THE HEDGEHOG PATHWAY
  申请人：Bahceci Suleyman

  公开号：US20120245139A1

  公开（公告）日：2012-09-27

  The present invention is directed to a compound of Formula I or a single isomer thereof; where the compound is optionally as a pharmaceutically acceptable salt, hydrate, solvate or combination thereof, in addition to methods of preparing a Compound of Formula I, and methods of using a Compound of Formula I to treat cancer.

  本发明涉及公式I的化合物或其单一异构体；其中所述化合物可选为药学上可接受的盐，水合物，溶剂合物或其组合物，以及制备公式I化合物的方法，以及使用公式I化合物治疗癌症的方法。
• Inhibitors of the hedgehog pathway
  申请人：Exelixis, Inc.

  公开号：EP2527330A1

  公开（公告）日：2012-11-28

  The present invention is directed to a compound of Formula I or a single isomer thereof; where the compound is optionally as a pharmaceutically acceptable salt, hydrate, solvate or combination thereof, in addition to methods of preparing a Compound of Formula I, and methods of using a Compound of Formula I to treat cancer.

  本发明涉及一种式 I 的化合物或其单一异构体；其中该化合物可选为药学上可接受的盐、水合物、溶液或其组合，此外还涉及制备式 I 化合物的方法，以及使用式 I 化合物治疗癌症的方法。
• METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER
  申请人：Rocconi Rodney P.

  公开号：US20140309184A1

  公开（公告）日：2014-10-16

  Embodiments of the present disclosure relate to methods and compositions for treating a subject with ovarian cancer. Some embodiments include treating a subject with a particular combination of chemotherapeutic agents.
• US8222263B2
  申请人：——

  公开号：US8222263B2

  公开（公告）日：2012-07-17