4-(6-(thiophen-2-yl)isothiazolo[4,3-b]pyridin-3-yl)morpholine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(6-(thiophen-2-yl)isothiazolo[4,3-b]pyridin-3-yl)morpholine
• 英文别名: 4-(6-(Thiophen-2-yl)isothiazolo[4,3-b]pyridin-3-yl)morpholine；4-(6-thiophen-2-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)morpholine
• 化学式: C₁₄H₁₃N₃OS₂
• 分子量: 303.409
• InChiKey: UCBNBUVBGNUKDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-溴-2-氰基-3-硝基吡啶 在 四(三苯基膦)钯 、 氢溴酸 、 双氧水 、 铁粉 、 potassium carbonate 、 溶剂黄146 、 sodium nitrite 作用下， 以 甲醇 、 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 2.5h， 生成 4-(6-(thiophen-2-yl)isothiazolo[4,3-b]pyridin-3-yl)morpholine
  参考文献：
  名称：

  [EN] GAK MODULATORS AS ANTIVIRALS
  [FR] MODULATEURS DE GAK A TITRE D'AGENTS ANTIVIRAUX

  摘要：

  本发明涉及一类新型异噻唑并[4,3-b]吡啶衍生物的使用，以及包含一种或多种所述异噻唑并[4,3-b]吡啶衍生物和一种或多种药学上可接受的赋形剂作为生物活性成分的药物组合物，更具体地，作为用于治疗诸如病毒性疾病等疾病和病理状况的药物。

  公开号：

  WO2016012536A1

文献信息

• [EN] NOVEL GAK MODULATORS<br/>[FR] NOUVEAUX MODULATEURS DE LA GAK
  申请人：UNIV LEUVEN KATH

  公开号：WO2015001076A1

  公开（公告）日：2015-01-08

  The present invention relates to a class of novel isothiazolo[4,3-b]pyridine derivatives and a method for their preparation, as well as to pharmaceutical compositions comprising one or more of said isothiazolo[4,3-b]pyridine derivatives and one or more pharmaceutically acceptable excipients. The present invention further relates to the use of said novel isothiazolo[4,3-b]pyridine derivatives as biologically active ingredients, more specifically as medicaments for the treatment of disorders and pathologic conditions such as, but not limited to, cell-proliferative and neurodegenerative diseases.

  本发明涉及一类新型的异噻唑并[4,3-b]吡啶衍生物及其制备方法，以及包含一种或多种所述异噻唑并[4,3-b]吡啶衍生物和一种或多种药学上可接受的赋形剂的药物组合物。本发明还涉及所述新型异噻唑并[4,3-b]吡啶衍生物作为生物活性成分的用途，更具体地，作为用于治疗诸如但不限于细胞增殖性和神经退行性疾病等障碍和病理状况的药物。
• NOVEL GAK MODULATORS
  申请人：KATHOLIEKE UNIVERSITEIT LEUVEN

  公开号：US20160122364A1

  公开（公告）日：2016-05-05

  The present invention relates to a class of novel isothiazolo[4,3-b]pyridine derivatives and a method for their preparation, as well as to pharmaceutical compositions comprising one or more of said isothiazolo[4,3-b]pyridine derivatives and one or more pharmaceutically acceptable excipients. The present invention further relates to the use of said novel isothiazolo[4,3-b]pyridine derivatives as biologically active ingredients, more specifically as medicaments for the treatment of disorders and pathologic conditions such as, but not limited to, cell-proliferative and neurodegenerative diseases.

  本发明涉及一类新型异噻唑并[4,3-b]吡啶衍生物及其制备方法，以及包含一种或多种所述异噻唑并[4,3-b]吡啶衍生物和一种或多种药学上可接受的辅料的制药组合物。本发明还涉及使用所述新型异噻唑并[4,3-b]吡啶衍生物作为生物活性成分，更具体地作为治疗细胞增殖和神经退行性疾病等疾病和病理情况的药物。
• Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents
  作者：Sona Kovackova、Lei Chang、Elena Bekerman、Gregory Neveu、Rina Barouch-Bentov、Apirat Chaikuad、Christina Heroven、Michal Šála、Steven De Jonghe、Stefan Knapp、Shirit Einav、Piet Herdewijn

  DOI：10.1021/jm501759m

  日期：2015.4.23

  Cyclin G associated kinase (GAK) emerged as a promising drug target for the treatment of viral infections. However, no potent and selective GAK inhibitors have been reported in the literature to date. This paper describes the discovery of isothiazolo[5,4-b]pyridines as selective GAK inhibitors, with the most potent congeners displaying low nanomolar binding affinity for GAK. Cocrystallization experiments revealed that these compounds behaved as classic type I ATP-competitive kinase inhibitors. In addition, we have demonstrated that these compounds exhibit a potent activity against hepatitis C virus (HCV) by inhibiting two temporally distinct steps in the HCV life cycle (i.e., viral entry and assembly). Hence, these GAK inhibitors represent chemical probes to study GAK function in different disease areas where GAK has been implicated (including viral infection, cancer, and Parkinsons disease).
• GAK MODULATORS AS ANTIVIRALS
  申请人：Katholieke Universiteit Leuven

  公开号：US20170152271A1

  公开（公告）日：2017-06-01

  The present invention relates to the use of a class of novel isothiazolo[4,3-b]pyridine derivatives as well as to pharmaceutical compositions comprising one or more of said isothiazolo[4,3-b]pyridine derivatives and one or more pharmaceutically acceptable excipients as biologically active ingredients, more specifically as medicaments for the treatment of disorders and pathologic conditions such as viral diseases.
• US9518066B2
  申请人：——

  公开号：US9518066B2

  公开（公告）日：2016-12-13