N-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-pyrimidin-2-ylmethyl]-nicotinamide | 1072268-00-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-pyrimidin-2-ylmethyl]-nicotinamide
• 英文别名: N-[[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
• CAS: 1072268-00-8
• 化学式: C₂₃H₂₁FN₆O₂
• 分子量: 432.457
• InChiKey: DALAESXNERPHKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(6-氯-2-碘-嘧啶-4-基)-吗啉 在 bis-triphenylphosphine-palladium(II) chloride 、 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) dimethyl sulfide borane 、 sodium carbonate 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 21.08h， 生成 N-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-pyrimidin-2-ylmethyl]-nicotinamide
  参考文献：
  名称：

  WO2008/125833

  摘要：

  公开号：

文献信息

• PHARMACEUTICAL COMPOUNDS
  申请人：Baker Stewart James

  公开号：US20100256143A1

  公开（公告）日：2010-10-07

  The invention provides a pyrimidine compound of formula (I): wherein R 1 and R 2 have any of the values defined herein; or a pharmaceutically acceptable salt thereof. The compounds are inhibitors of PI3K and may thus 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.

  本发明提供一种嘧啶化合物，其化学式为(I)：其中R1和R2具有本文中定义的任何值；或其药学上可接受的盐。该化合物是PI3K的抑制剂，因此可用于治疗由PI3激酶引起的异常细胞生长、功能或行为所导致的疾病和障碍，例如癌症、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系统障碍。
• 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.
• Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication
  申请人：Katsikis Peter D.

  公开号：US20130116267A1

  公开（公告）日：2013-05-09

  The invention includes compositions and methods for regulating PI3K p110 delta as an anti-retroviral therapy. The invention includes a method of 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 HTV. 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.
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUES
  申请人：PIRAMED LTD

  公开号：WO2008125833A1

  公开（公告）日：2008-10-23

  [EN] The invention provides a compound which is a pyrimidine of formula (I): The compounds are inhibitors of PI3K and may thus 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.
  [FR] La présente invention concerne un composé qui est une pyrimidine de formule (I). Les composés sont inhibiteurs de PI3K et peuvent donc être utilisés pour traiter des maladies et des troubles provoqués par une croissance cellulaire anormale, une fonction ou un comportement associé(e) à la PI3 kinase tels que le cancer, des troubles immunitaires, une maladie cardiovasculaire, une infection virale, l'inflammation, des troubles de la fonction métabolique/endocrinienne et des troubles neurologiques.