4-chloro-6,7-dimethoxy-9,9a-dihydro-4aH-pyrimido[4,5-b]indole | 850879-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 4-chloro-6,7-dimethoxy-9,9a-dihydro-4aH-pyrimido[4,5-b]indole
• CAS: 850879-15-1
• 化学式: C₁₂H₁₂ClN₃O₂
• 分子量: 265.699
• InChiKey: NRWVCKXPSLNUBV-UHFFFAOYSA-N

物化性质

• 沸点：
  411.0±55.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-6,7-dimethoxy-9,9a-dihydro-4aH-pyrimido[4,5-b]indole 在 吡啶 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 28.0h， 生成 MP300
  参考文献：
  名称：

  WO2006/116733

  摘要：

  公开号：
• 作为产物：
  描述：

  1-氯-4,5-二甲氧基-2-硝基苯 在 1,4-二氧六环 、 potassium tert-butylate 、 sodium methylate 、 溶剂黄146 、 锌 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 44.25h， 生成 4-chloro-6,7-dimethoxy-9,9a-dihydro-4aH-pyrimido[4,5-b]indole
  参考文献：
  名称：

  WO2006/116733

  摘要：

  公开号：

文献信息

• Protein kinase inhibitors
  申请人：Hurley H. Laurence

  公开号：US20050239793A1

  公开（公告）日：2005-10-27

  Protein kinase inhibitors are disclosed having utility in the treatment of protein kinase-mediated diseases and conditions, such as cancer. The compounds of this invention have the following structure: including steroisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein A is a ring moiety selected from: and wherein R1, R2, R3, X, Z, L1, Cycl1, L2 and Cycl2 are as defined herein. Also disclosed are compositions containing a compound of this invention, as well as methods relating to the use thereof.

  本发明揭示了具有治疗蛋白激酶介导疾病和病况（如癌症）的效用的蛋白激酶抑制剂。本发明的化合物具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中A是从以下环基中选择的环基：并且R1、R2、R3、X、Z、L1、Cycl1、L2和Cycl2的定义如本文所述。本发明还揭示了含有本发明化合物的组合物，以及与其使用相关的方法。
• PROTEIN KINASE INHIBITORS
  申请人：Bearss David J.

  公开号：US20080207632A1

  公开（公告）日：2008-08-28

  Protein kinase inhibitors are disclosed having utility in the treatment of protein kinase-mediated diseases and conditions, such as cancer, such as Aurora kinase-expressing cancers and Axl kinase-expressing cancers. Compounds of the invention have the following structure: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , X, Z, L 2 and w are as defined herein. Also disclosed are compositions containing a compound of this invention, as well as methods relating to the use thereof.

  本发明揭示了蛋白激酶抑制剂，其在治疗蛋白激酶介导的疾病和病状中具有功效，例如癌症，如Aurora激酶表达的癌症和Axl激酶表达的癌症。本发明的化合物具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中R1、R2、R3、X、Z、L2和w如本文所定义。本发明还揭示了含有本发明化合物的组合物，以及与其使用相关的方法。
• Protein Kinase Inhibitors
  申请人：Hurley H. Laurence

  公开号：US20080051414A1

  公开（公告）日：2008-02-28

  Protein kinase inhibitors are disclosed having utility in the treatment of protein kinase-mediated diseases and conditions, such as cancer. The compounds of this invention have the following structure: including steroisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein A is a ring moiety selected from: and wherein R 1 , R 2 , R 3 , X, Z, L 1 , Cycl 1 , L 2 and Cycl 2 are as defined herein. Also disclosed are compositions containing a compound of this invention, as well as methods relating to the use thereof.

  本发明揭示了具有在治疗蛋白激酶介导的疾病和病状（如癌症）中的用途的蛋白激酶抑制剂。本发明的化合物具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中A是从以下环基中选择的环基：并且其中R1、R2、R3、X、Z、L1、Cycl1、L2和Cycl2的定义如本文所述。本发明还揭示了包含本发明化合物的组合物，以及与其使用相关的方法。
• Substituted tricyclic compounds as protein kinase inhibitors
  申请人：Arizona Board of Regents on behalf of The University of Arizona

  公开号：US07326712B2

  公开（公告）日：2008-02-05

  Protein kinase inhibitors are disclosed having utility in the treatment of protein kinase-mediated diseases and conditions, such as cancer. The compounds of this invention have the following structure: including steroisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein A is a ring moiety selected from: and wherein R1, R2, R3, X, Z, L1, Cycl1, L2 and Cycl2 are as defined herein. Also disclosed are compositions containing a compound of this invention, as well as methods relating to the use thereof.

  本发明揭示了具有在治疗蛋白激酶介导的疾病和病症（如癌症）中的用途的蛋白激酶抑制剂。本发明的化合物具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中A是从以下环基中选择的环基：并且其中R1、R2、R3、X、Z、L1、Cycl1、L2和Cycl2如本文中所定义。本发明还揭示了含有本发明化合物的组合物，以及与其使用相关的方法。
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE
  申请人：TY OF ARIZONA ARIZONA BOARD OF

  公开号：WO2005037825A3

  公开（公告）日：2006-03-30