{1-[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]piperidin-4-yl}-dimethyl-amine | 1148002-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: {1-[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]piperidin-4-yl}-dimethyl-amine
• 英文别名: {1-[9-Ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]-piperidin-4-yl}-dimethyl-amine；1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine
• CAS: 1148002-38-3
• 化学式: C₂₇H₃₆N₈O
• 分子量: 488.636
• InChiKey: XMBHMRUOZYOMQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [1-(2-chloro-9-ethyl-6-morpholin-4-yl-9H-purin-8-ylmethyl)piperidin-4-yl]-dimethyl-amine 、 吲哚-4-硼酸 在 双(三环己基膦)二氯化钯 potassium phosphate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.5h， 以92%的产率得到{1-[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]piperidin-4-yl}-dimethyl-amine
  参考文献：
  名称：

  [EN] PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS
  [FR] DÉRIVÉS DE PURINE UTILES COMME INHIBITEURS DE PI3 KINASE

  摘要：

  这项发明提供了一种化合物，其为式(Ia)或(Ib)的嘌呤类化合物：及其药学上可接受的盐，这些化合物是PI3K的抑制剂，并且对p110δ同工型具有选择性，p110δ是Ia类PI3激酶，优于其他Ia类PI3激酶和Ib类激酶。这些化合物可用于治疗由于与PI3激酶相关的异常细胞生长、功能或行为引起的疾病和紊乱，如癌症、免疫紊乱、心血管疾病、病毒感染、炎症、代谢/内分泌功能紊乱和神经系统疾病。

  公开号：

  WO2009053716A1

文献信息

• PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS
  申请人：Goldsmith Paul

  公开号：US20110230464A1

  公开（公告）日：2011-09-22

  This invention provides a compound which is a purine of formula (Ia) or (Ib): and the pharmaceutically acceptable salts thereof that are inhibitors of PI3K and a selective for the p110δ isoform, which is a class Ia PI3 kinase, over other class Ia PI3 kinases and over class Ib kinases. The compounds may be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase such as cancer immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  本发明提供了一种化合物，即式(Ia)或(Ib)的嘌呤化合物及其药学上可接受的盐，它们是PI3K的抑制剂，且对p110δ亚型具有选择性，该亚型属于Ia类PI3激酶，相对于其他Ia类PI3激酶和Ib类激酶具有优异的选择性。这些化合物可用于治疗由于PI3激酶异常细胞生长、功能或行为引起的疾病和障碍，如癌症、免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌功能障碍和神经障碍。
• PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2215090B1

  公开（公告）日：2015-03-04
• PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS
  申请人：The U.S.A. As Represented By The Secretary, Department Of Health And Human Services

  公开号：EP2365810A2

  公开（公告）日：2011-09-21
• Role of PI3K p110 delta Signaling in Retroviral Infection and Replication
  申请人：Katsikis Peter D.

  公开号：US20110135655A1

  公开（公告）日：2011-06-09

  The invention includes compositions and methods for regulating PI3K p110 delta as an anti-retroviral therapy. The invention includes inhibiting p110 delta, a component of PI3K p110 delta signaling pathway, or any combination thereof in a cell as an anti-retroviral therapeutic approach for treating a retroviral infection, for example HIV. The invention includes a method of modulating PI3K p110 delta in a cell infected with a retrovirus by contacting the cell with an effective amount of a composition comprising an inhibitor of PI3K p110 delta.
• Compositions and Methods for Preventing or Treating Influenza Virus Infection
  申请人：Katsikis Peter D.

  公开号：US20120184519A1

  公开（公告）日：2012-07-19

  The invention includes compositions and methods for regulating PI3K p110 delta as an anti-retroviral therapy. The invention includes inhibiting p110 delta, a component of PI3K p110 delta signaling pathway, or any combination thereof in a cell as an anti-retroviral therapeutic approach for treating a retroviral infection, for example HIV. The invention includes a method of modulating PI3K p110 delta in a cell infected with a retrovirus by contacting the cell with an effective amount of a composition comprising an inhibitor of PI3K p110 delta.