(2-aminopyridin-3-yl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]pyridin-2-yl]methanone | 1042983-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2-aminopyridin-3-yl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]pyridin-2-yl]methanone
• CAS: 1042983-90-3
• 化学式: C₁₈H₂₃N₅O
• 分子量: 325.414
• InChiKey: BKGOJJMSFNDNJN-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  84.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-3-氰基吡啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2-aminopyridin-3-yl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]pyridin-2-yl]methanone
  参考文献：
  名称：

  Structure-based optimization of aminopyridines as PKCθ inhibitors

  摘要：

  The identification of a novel series of PKC theta inhibitors and subsequent optimization using docking based on a crystal structure of PKC theta is described. SAR was rapidly generated around an amino pyridine-ketone hit; (6-aminopyridin-2-yl)(2-aminopyridin-3-yl) methanone 2 leading to compound 21 which significantly inhibits production of IL-2 in a mouse SEB-IL2 model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.114

文献信息

• KINASE INHIBITORS
  申请人：MALTAIS FRANCOIS

  公开号：US20090124602A1

  公开（公告）日：2009-05-14

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供了含有所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。该发明还提供了制备本发明化合物的方法。
• US8188071B2
  申请人：——

  公开号：US8188071B2

  公开（公告）日：2012-05-29
• US8741931B2
  申请人：——

  公开号：US8741931B2

  公开（公告）日：2014-06-03
• Structure-based optimization of aminopyridines as PKCθ inhibitors
  作者：Juan-Miguel Jimenez、Christopher Davis、Dean Boyall、Damien Fraysse、Ronald Knegtel、Luca Settimo、Stephen Young、Claire Bolton、Peter Chiu、Adam Curnock、Richele Rasmussen、Adam Tanner、Ian Ager

  DOI：10.1016/j.bmcl.2012.05.114

  日期：2012.7

  The identification of a novel series of PKC theta inhibitors and subsequent optimization using docking based on a crystal structure of PKC theta is described. SAR was rapidly generated around an amino pyridine-ketone hit; (6-aminopyridin-2-yl)(2-aminopyridin-3-yl) methanone 2 leading to compound 21 which significantly inhibits production of IL-2 in a mouse SEB-IL2 model. (C) 2012 Elsevier Ltd. All rights reserved.