3-amino-6-(4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

• 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-6-(4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
• 英文别名: 3-amino-6-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
• 化学式: C₂₀H₁₃F₃N₄OS
• 分子量: 414.4
• InChiKey: BJYSWFGXDXGAAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF
  申请人：The University of Tokyo

  公开号：US20190177336A1

  公开（公告）日：2019-06-13

  It is an object of the present invention to provide a compound inhibiting the binding between ALS-related mutant SOD1 and Derlin-1, a medicament comprising the compound, and a method for treating ALS by administering the medicament to a patient. More specifically, the aforementioned compound is represented by the following formula (1): wherein X represents a sulfur atom or —CH═CH—; A 1 to A 4 each independently represent a carbon atom or a nitrogen atom, and at least one of A 1 to A 4 is a nitrogen atom; R 1 represents a 1,2,3,4-tetrahydroquinolyl group (or a 3,4-dihydro-1(2H)-quinolyl group), a 3,4-dihydro-4,4-dimethyl-1(2H)-quinolyl group, a 2,3,4,5-tetrahydro-1H-1-benzazepinyl group, or a substituent represented by the following formula (2): wherein R 4 represents an unsubstituted or optionally substituted phenyl group, an unsubstituted or optionally substituted pyridyl group, or an unsubstituted or optionally substituted naphthyl group, and R 5 represents any one of a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group (optionally containing an oxygen atom and/or a double bond), or an unsubstituted or optionally substituted aromatic lower alkyl group; R 2 represents a hydrogen atom, a lower alkyl group, a lower acyl group, or an unsubstituted or optionally substituted aromatic lower alkyl group; and R 3 represents a hydrogen atom, or R 2 and R 3 may bind to each other to form a ring.

  本发明的目的是提供一种抑制ALS相关突变SOD1和Derlin-1结合的化合物，包括该化合物的药物以及通过向患者施用该药物治疗ALS的方法。具体而言，上述化合物由以下公式（1）表示：其中X表示硫原子或-CH═CH-；A1至A4分别独立表示碳原子或氮原子，且至少有一个为氮原子；R1表示1,2,3,4-四氢喹啉基（或3,4-二氢-1（2H）-喹啉基），3,4-二氢-4,4-二甲基-1（2H）-喹啉基，2,3,4,5-四氢-1H-1-苯并氮杂环基或由以下公式（2）表示的取代基：其中R4表示未取代或可选取代的苯基，未取代或可选取代的吡啶基或未取代或可选取代的萘基，而R5表示氢原子，低碳基，低烯基，低炔基（可选含氧原子和/或双键）或未取代或可选取代的芳香基低碳基中的任意一种；R2表示氢原子，低碳基，低酰基或未取代或可选取代的芳香基低碳基；而R3表示氢原子，或R2和R3可结合形成环。
• Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections
  申请人：Siga Technologies, Inc.

  公开号：US20130129677A1

  公开（公告）日：2013-05-23

  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 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.

  本发明揭示了使用某些噻唑吡啶衍生物化合物以治疗病毒感染的方法和制药组合物，通过以治疗有效剂量给药。同时还揭示了使用这些化合物和制药组合物的方法。具体地，揭示了治疗由黄热病毒、日本脑炎病毒、西尼罗河病毒、登革热病毒和蜱媒脑炎病毒等引起的病毒感染的方法。
• Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof
  申请人：The University of Tokyo

  公开号：US10689394B2

  公开（公告）日：2020-06-23

  A compound represented by the following formula (1) is provided: wherein X represents a sulfur atom or —CH═CH—; A1 to A4 each independently represent a carbon atom or a nitrogen atom, and at least one of A1 to A4 is a nitrogen atom; R1 represents any one of a 1,2,3,4-tetrahydroquinolyl group (or a 3,4-dihydro-1(2H)-quinolyl group), a 3,4-dihydro-4,4-dimethyl-1(2H)-quinolyl group, a 2,3,4,5-tetrahydro-1H-1-benzazepinyl group, or a substituent represented by the following formula (2): wherein R4 represents a 2,3,4-trifluorophenyl group, a 4-iodophenyl group, a 2,3-difluorophenyl group, a 3,5-difluorophenyl group, a 5-fluoro-2-methylphenyl group, a 3-pentafluorosulfanylphenyl group, a 2,6-dimethylphenyl group, a 4-benzyloxyphenyl group, a 3,5-bis(trifluoromethyl)biphenyl group, a 4-tert-butylphenyl group, a 3-methoxyphenyl group, an unsubstituted or substituted pyridyl group, or an unsubstituted or substituted naphthyl group; R5 represents a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group optionally containing an oxygen atom and/or a double bond, or an unsubstituted or substituted aromatic lower alkyl group; R2 represents a hydrogen atom, a lower alkyl group, a lower acyl group, or an unsubstituted or substituted aromatic lower alkyl group; and R3 represents a hydrogen atom, or R2 and R3 may bind to each other to form a ring.

  提供了下式（1）所代表的化合物： 其中X代表硫原子或-CH═CH-；A1至A4各自独立地代表碳原子或氮原子，且A1至A4中至少有一个是氮原子；R1 代表 1，2，3，4-四氢喹啉基（或 3，4-二氢-1(2H)-喹啉基）、3，4-二氢-4，4-二甲基-1(2H)-喹啉基、2，3，4，5-四氢-1H-1-苯并氮杂卓基或下式(2)所代表的取代基中的任一个： 其中 R4 代表 2,3,4-三氟苯基基团、4-碘苯基基团、2,3-二氟苯基基团、3,5-二氟苯基基团、5-氟-2-甲基苯基基团、3-五氟硫代苯基基团、2,6-二甲基苯基基团4-苄氧基苯基、3,5-双（三氟甲基）联苯基、4-叔丁基苯基、3-甲氧基苯基、未取代或取代的吡啶基或未取代或取代的萘基；R5 代表氢原子、低级烷基、低级烯基、任选含有氧原子和/或双键的低级炔基、或未取代或取代的芳香族低级烷基； R2 代表氢原子、低级烷基、低级酰基、或未取代或取代的芳香族低级烷基；以及 R3 代表氢原子，或 R2 和 R3 可相互结合形成一个环。
• THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS
  申请人：Siga Technologies, Inc.

  公开号：US20170121344A1

  公开（公告）日：2017-05-04

  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 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.
• [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：WO2014089378A1

  公开（公告）日：2014-06-12

  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 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.