4-amino-2-methylthieno[3,2-c]pyridine-7-carboxamide | 1529795-92-3

• 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: 4-amino-2-methylthieno[3,2-c]pyridine-7-carboxamide
• CAS: 1529795-92-3
• 化学式: C₉H₉N₃OS
• 分子量: 207.256
• InChiKey: RIZQDNYWQITJRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.0
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-bromo-4-(4-methoxybenzylamino)thieno[3,2-c]pyridine-7-carbonitrile 在 四(三苯基膦)钯 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 生成 4-amino-2-methylthieno[3,2-c]pyridine-7-carboxamide
  参考文献：
  名称：

  Identification through structure-based methods of a bacterial NAD+-dependent DNA ligase inhibitor that avoids known resistance mutations

  摘要：

  In an attempt to identify novel inhibitors of NAD(+)-dependent DNA ligase (LigA) that are not affected by a known resistance mutation in the adenosine binding pocket, a detailed analysis of the binding sites of a variety of bacterial ligases was performed. This analysis revealed several similarities to the adenine binding region of kinases, which enabled a virtual screen of known kinase inhibitors. From this screen, a thienopyridine scaffold was identified that was shown to inhibit bacterial ligase. Further characterization through structure and enzymology revealed the compound was not affected by a previously disclosed resistance mutation in Streptococcus pneumoniae LigA, Leu75Phe. A subsequent medicinal chemistry program identified substitutions that resulted in an inhibitor with moderate activity across various Gram-positive bacterial LigA enzymes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.007

文献信息

• Antiinflammation agents
  申请人：Burkitt A. Simon

  公开号：US20070155777A1

  公开（公告）日：2007-07-05

  Compounds, compositions and methods that are useful in the treatment of inflammatory, immunoregulatory, metabolic, infectious and cell proliferative diseases or conditions are provided herein. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, metabolism, infection and cell proliferation. The subject compounds contain a fused heterobicyclic ring.

  本文提供了在治疗炎症、免疫调节、代谢、感染和细胞增殖性疾病或病况中有用的化合物、组合物和方法。特别地，本发明提供了调节参与炎症、代谢、感染和细胞增殖的蛋白质表达和/或功能的化合物。所述化合物包含一个融合的杂双环环。
• US7199119B2
  申请人：——

  公开号：US7199119B2

  公开（公告）日：2007-04-03
• US7635695B2
  申请人：——

  公开号：US7635695B2

  公开（公告）日：2009-12-22