(pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one | 1333107-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: (pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one
• 英文别名: 2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
• CAS: 1333107-87-1
• 化学式: C₁₂H₈N₂OS
• 分子量: 228.274
• InChiKey: DQWACIDQRZGBRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile
  参考文献：
  名称：

  Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors

  摘要：

  The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3 beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.050
• 作为产物：
  描述：

  3-(5-Bromothiophen-2-yl)prop-2-enoyl azide 在 四(三苯基膦)钯 、 二苯甲酮 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 (pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one
  参考文献：
  名称：

  Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors

  摘要：

  The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3 beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.050

文献信息

• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：Abbott GmbH & Co. KG

  公开号：US20130116233A1

  公开（公告）日：2013-05-09

  The present invention relates to novel compounds of the formula I which are inhibitors of phosphodiesterase type 10A and to their use for the manufacture of a medicament and which thus are suitable for treating or controlling of medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders.

  本发明涉及一种新型化合物，其化学式为I，它们是磷酸二酯酶10A的抑制剂，并且用于制备药物，因此适用于治疗或控制从神经系统疾病和精神疾病中选择的医学疾病，改善与这些疾病相关的症状，并减少这些疾病的风险。
• US9273068B2
  申请人：——

  公开号：US9273068B2

  公开（公告）日：2016-03-01
• US9657034B2
  申请人：——

  公开号：US9657034B2

  公开（公告）日：2017-05-23
• Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors
  作者：Gabriella Gentile、Giovanni Bernasconi、Alfonso Pozzan、Giancarlo Merlo、Paola Marzorati、Paul Bamborough、Benjamin Bax、Angela Bridges、Caroline Brough、Paul Carter、Geoffrey Cutler、Margarete Neu、Mia Takada

  DOI：10.1016/j.bmcl.2011.06.050

  日期：2011.8

  The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3 beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. (C) 2011 Elsevier Ltd. All rights reserved.