3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]-thieno[3,2-e]pyridine-2-carboxamide | 298219-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]-thieno[3,2-e]pyridine-2-carboxamide
• 英文别名: 3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide；6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
• CAS: 298219-02-0
• 化学式: C₁₉H₁₉N₃OS
• mdl: MFCD01162174
• 分子量: 337.445
• InChiKey: XLUWDRNECAPOQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  96.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  苯胺 在 sodium carbonate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 19.25h， 生成 3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]-thieno[3,2-e]pyridine-2-carboxamide
  参考文献：
  名称：

  A synthesis, in silico, in vitro and in vivo study of thieno[2,3-b]pyridine anticancer analogues

  摘要：

  吡啶并噻吩[2,3-b]吡啶与TDP1结合，最佳类似物为9d，IC₅₀为0.5 μM。

  DOI：

  10.1039/c5md00245a

文献信息

• A synthesis, in silico, in vitro and in vivo study of thieno[2,3-b]pyridine anticancer analogues
  作者：Homayon J. Arabshahi、Michelle van Rensburg、Lisa I. Pilkington、Chae Yeon Jeon、Mirae Song、Ling-Mey Gridel、Euphemia Leung、David Barker、Milena Vuica-Ross、Konstantin P. Volcho、Alexandra L. Zakharenko、Olga I. Lavrik、Jóhannes Reynisson

  DOI：10.1039/c5md00245a

  日期：——

  The thieno[2,3-b]pyridines bind to TDP1 with the best analogue 9d with IC₅₀ at 0.5 μM.

  吡啶并噻吩[2,3-b]吡啶与TDP1结合，最佳类似物为9d，IC₅₀为0.5 μM。
• [EN] THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS<br/>[FR] DÉRIVÉS DE THIÉNOPYRIDINE POUR LE TRAITEMENT ET LA PRÉVENTION D'INFECTIONS PAR LE VIRUS DE LA DENGUE
  申请人：SIGA TECHNOLOGIES INC

  公开号：WO2010099166A1

  公开（公告）日：2010-09-02

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明公开了用于治疗病毒感染的方法和药物组合物，通过给予治疗有效量的特定噻吩吡啶衍生物化合物来实现。还公开了使用这些化合物和药物组合物的方法。具体公开了治疗和预防由黄病毒等病毒引起的感染，包括但不限于登革病毒、西尼罗河病毒、黄热病病毒、日本脑炎病毒和蜱传脑炎病毒。
• METHODS FOR TREATING HEPATITIS C
  申请人：Karp Gary Mitchell

  公开号：US20100099672A1

  公开（公告）日：2010-04-22

  In accordance with the present invention, compounds that can inhibit viral replication, preferably Hepatitis C Virus (HCV) replication, have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the treatment or prevention of a viral infection are provided. In another aspect of the invention, compounds useful in the treatment or prevention of HCV infection are provided.

  根据本发明，已经确定了可以抑制病毒复制的化合物，优选是乙型肝炎病毒（HCV）的复制，并提供了其使用的方法。在本发明的一个方面中，提供了用于治疗或预防病毒感染的化合物。在本发明的另一个方面中，提供了用于治疗或预防乙型肝炎病毒感染的化合物。
• Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections
  申请人：Byrd Chelsea M.

  公开号：US20120022046A1

  公开（公告）日：2012-01-26

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明揭示了通过以治疗有效量的某些噻唑吡啶衍生物化合物进行给药来治疗病毒感染的方法和制药组合物。本发明还揭示了使用这些化合物和制药组合物的方法。具体地，本发明揭示了治疗和预防由黄热病毒、日本脑炎病毒、西尼罗河病毒、登革热病毒和蜱传脑炎病毒等引起的病毒感染的方法。
• THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS
  申请人：Siga Technologies, Inc.

  公开号：US20160152635A1

  公开（公告）日：2016-06-02

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明公开了通过以治疗有效剂量给予某些噻唑吡啶衍生物化合物来治疗病毒感染的方法和制药组合物。本发明还公开了使用这些化合物和其制药组合物的方法。具体而言，本发明公开了治疗和预防由黄热病毒、日本脑炎病毒、蜱传脑炎病毒等引起的病毒感染的方法，但不限于此。