2-三氟甲基-5,6,7,8-四氢-[1,6]萘啶 | 794461-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-三氟甲基-5,6,7,8-四氢-[1,6]萘啶
• 英文名称: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
• CAS: 794461-84-0
• 化学式: C₉H₉F₃N₂
• 分子量: 202.179
• InChiKey: XTHCVKRDECVOHA-UHFFFAOYSA-N

物化性质

• 沸点：
  228.7±35.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-2-氯-1-(2-甲基环氧乙烷-2-基甲基)-4-硝基咪唑 、 2-三氟甲基-5,6,7,8-四氢-[1,6]萘啶 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 (S)-1-(2-chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-3-(2-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)propan-2-ol
  参考文献：
  名称：

  EP3252059

  摘要：

  公开号：
• 作为产物：
  描述：

  1-苄基-4-(1-吡咯烷基)-1,2,3,6-四氢吡啶 在 palladium 10% on activated carbon 、 ammonium acetate 、 氢气 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 3.0h， 生成 2-三氟甲基-5,6,7,8-四氢-[1,6]萘啶
  参考文献：
  名称：

  A concise one-pot synthesis of trifluoromethyl-containing 2,6-disubstituted 5,6,7,8-tetrahydroquinolines and 5,6,7,8-tetrahydronaphthyridines

  摘要：

  由于存在部分饱和的二环骨架和代谢稳定的CF3基团，带有附加三氟甲基的5,6,7,8-四氢喹啉和5,6,7,8-四氢萘啶是一类在药物化学中具有重要价值的化学类型。通过1H核磁共振研究优化了这类化合物的制备，采用三步/一锅法，得到了具有三级取代基的新型2,6-二取代衍生物。通过手性HPLC分离了外消旋的2,6-二取代四氢喹啉，获得了单一的对映体。

  DOI：

  10.1039/c2ob27113c

文献信息

• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] DÉRIVÉS PYRAZOLOPYRIMIDINE UTILES COMME INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：REDX PHARMA LTD

  公开号：WO2014188173A1

  公开（公告）日：2014-11-27

  This invention relates to novel compounds. The compounds of the invention are tyrosine kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Bruton's tyrosine kinase (BTK). The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Bruton's tyrosine kinase, for example cancer, lymphoma, leukemia and immunological diseases.

  这项发明涉及新型化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。
• [EN] NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS DE NAPHTYRIDINE EN TANT QUE MODULATEURS DE CANAUX POTASSIQUES
  申请人：VALEANT PHARMACEUTICALS INT

  公开号：WO2009018466A1

  公开（公告）日：2009-02-05

  This invention provided compounds of formula (I), where W and Z are, independently, CH or N, and where other substituents are defined herein. Such compounds are potassium channel modulators. The invention also provides a composition comprising a pharmaceutically acceptable carrier or excipient and at least one of the following: a pharmaceutically effective amount of a compound of formula (I); a pharmaceutically acceptable salt of a compound of formula (I); a pharmaceutically acceptable ester of a compound of formula (I). The invention also provides a method of preventing or treating a disease or disorder which is affected by activities of potassium channels, comprising administering to a patient in need thereof a therapeutically effective amount of a compound of formula (I) or a salt or ester or solvate thereof.

  这项发明提供了化合物的结构式(I)，其中W和Z分别为CH或N，其他取代基在此定义。这些化合物是钾通道调节剂。该发明还提供了一种包含药用载体或赋形剂以及以下至少一种成分的组合物：结构式(I)的化合物的药用有效量；结构式(I)的化合物的药用可接受盐；结构式(I)的化合物的药用可接受酯。该发明还提供了一种预防或治疗受钾通道活性影响的疾病或疾病的方法，包括向需要的患者施用结构式(I)的化合物或其盐或酯或溶剂的治疗有效量。
• 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes
  申请人：Ashton T Wallace

  公开号：US20060074087A1

  公开（公告）日：2006-04-06

  The present invention is directed to 3-amino-4-phenylbutanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及3-氨基-4-苯基丁酸衍生物，它们是二肽基肽酶-IV酶（“DP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶涉及的疾病，如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶-IV酶涉及的这些疾病中使用这些化合物和组合物。
• Naphthyridine derivatives as potassium channel modulators
  申请人：Vernier Jean-Michel

  公开号：US08563566B2

  公开（公告）日：2013-10-22

  This invention provided compounds of formula I where W and Z are, independently, CH or N, and where other substituents are defined herein. Such compounds are potassium channel modulators. The invention also provides a composition comprising a pharmaceutically acceptable carrier or excipient and at least one of the following: a pharmaceutically effective amount of a compound of formula I; a pharmaceutically acceptable salt of a compound of formula I; a pharmaceutically acceptable ester of a compound of formula I. The invention also provides a method of preventing or treating a disease or disorder which is affected by activities of potassium channels, comprising administering to a patient in need thereof a therapeutically effective amount of a compound of formula I or a salt or ester or solvate thereof.

  本发明提供了公式I的化合物，其中W和Z分别为CH或N，其他取代基在此定义。这些化合物是钾通道调节剂。本发明还提供了一种组合物，包括药学上可接受的载体或赋形剂和以下至少一种：公式I的化合物的药学有效量，公式I的化合物的药学上可接受的盐，公式I的化合物的药学上可接受的酯。本发明还提供了一种预防或治疗受钾通道活性影响的疾病或紊乱的方法，包括向需要治疗的患者施用公式I的化合物或其盐或酯或溶剂的治疗有效量。
• NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS
  申请人：VERNIER JEAN-MICHEL

  公开号：US20090170885A1

  公开（公告）日：2009-07-02

  This invention provided compounds of formula I where W and Z are, independently, CH or N, and where other substituents are defined herein. Such compounds are potassium channel modulators. The invention also provides a composition comprising a pharmaceutically acceptable carrier or excipient and at least one of the following: a pharmaceutically effective amount of a compound of formula I; a pharmaceutically acceptable salt of a compound of formula I; a pharmaceutically acceptable ester of a compound of formula I. The invention also provides a method of preventing or treating a disease or disorder which is affected by activities of potassium channels, comprising administering to a patient in need thereof a therapeutically effective amount of a compound of formula I or a salt or ester or solvate thereof.

  该发明提供了化合物I的公式，其中W和Z独立地为CH或N，其他取代基在此定义。这些化合物是钾通道调节剂。该发明还提供了一种组合物，包括药学上可接受的载体或赋形剂，以及以下至少一种：化合物I的药学有效量；化合物I的药学上可接受的盐；化合物I的药学上可接受的酯。该发明还提供了一种预防或治疗受钾通道活性影响的疾病或疾病的方法，包括向需要治疗的患者施用化合物I或其盐或酯或溶剂的治疗有效量。