6-Chloro-11-phenyl-15-oxa-2,4,8,25-tetraazatetracyclo[17.3.1.1(3,7).1(10,14)]pentacosa-1(23),3(25),4,6,10(24),11,13,19,21-nonaene | 1236130-49-6

• 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: 6-Chloro-11-phenyl-15-oxa-2,4,8,25-tetraazatetracyclo[17.3.1.1(3,7).1(10,14)]pentacosa-1(23),3(25),4,6,10(24),11,13,19,21-nonaene
• 英文别名: 6-chloro-11-phenyl-15-oxa-2,4,8,25-tetrazatetracyclo[17.3.1.13,7.110,14]pentacosa-1(22),3,5,7(25),10,12,14(24),19(23),20-nonaene
• CAS: 1236130-49-6
• 化学式: C₂₆H₂₃ClN₄O
• 分子量: 442.948
• InChiKey: JHMLRNFFLKYFAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  11-bromo-6-chloro-15-oxa-2,4,8,25-tetraazatetracyclo[17.3.1.1(3,7).1(10,14)]pentacosa-1(23),3(25),4,6,10(24),11,13,19,21-nonaene 、 苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 0.33h， 以27%的产率得到6-Chloro-11-phenyl-15-oxa-2,4,8,25-tetraazatetracyclo[17.3.1.1(3,7).1(10,14)]pentacosa-1(23),3(25),4,6,10(24),11,13,19,21-nonaene
  参考文献：
  名称：

  MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS

  摘要：

  本发明涉及以下式I的大环化合物：或其药用可接受的盐或季铵盐，其中所述成员组分在此提供，并且它们的组合物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，包括例如炎症和自身免疫性疾病，以及癌症。

  公开号：

  US20100190804A1

文献信息

• Macrocyclic compounds and their use as kinase inhibitors
  申请人：Combs Andrew Paul

  公开号：US08765727B2

  公开（公告）日：2014-07-01

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下式子的大环化合物：或其药学上可接受的盐或季铵盐，其中其组成成员在此提供，以及它们的组合物和使用方法，这些JAK/ALK抑制剂可用于治疗JAK/ALK相关疾病，包括例如炎症和自身免疫性疾病以及癌症。
• US8765727B2
  申请人：——

  公开号：US8765727B2

  公开（公告）日：2014-07-01
• [EN] MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS<br/>[FR] COMPOSÉS MACROCYCLIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DES KINASES
  申请人：INCYTE CORP

  公开号：WO2010085597A1

  公开（公告）日：2010-07-29

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.
• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20100190804A1

  公开（公告）日：2010-07-29

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下式I的大环化合物：或其药用可接受的盐或季铵盐，其中所述成员组分在此提供，并且它们的组合物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，包括例如炎症和自身免疫性疾病，以及癌症。