(sodium 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinate)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (sodium 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinate)
• 英文别名: sodium 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinate；sodium;5-methyl-3-(triazol-2-yl)pyridine-2-carboxylate
• 化学式: C₉H₇N₄O₂*Na
• 分子量: 226.17
• InChiKey: UXQOFYNOWXAOOD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.66
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  83.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (sodium 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinate) 、 sodium hydroxide 以 乙醇 为溶剂， 生成 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinic acid
  参考文献：
  名称：

  SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS

  摘要：

  本发明涉及公式I的化合物：还描述了制备公式I化合物的方法。本发明还涉及包括公式I化合物的制药组合物。本发明还涉及使用本发明中化合物的方法。

  公开号：

  US20160075696A1
• 作为产物：
  描述：

  3-溴-6-甲基吡啶-2-甲腈 在 乙醇 、 potassium carbonate 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 (sodium 5-methyl-3-(2H-1,2,3-triazol-2-yl)picolinate)
  参考文献：
  名称：

  US2014/275118

  摘要：

  公开号：

文献信息

• Substituted piperidine compounds and their use as orexin receptor modulators
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US09115117B2

  公开（公告）日：2015-08-25

  The present invention is directed to compounds of Formula I: wherein X is CR1 or N; Y is CR2 or N; Z is NH or O; R1 is alkoxy, triazolyl, oxazolyl, isoxazolyl, oxadiazolyl, or pyrimidinyl; R2 is H, alkyl, or halo; R3 is H, alkyl, alkoxy, halo, triazolyl, oxazolyl, or pyrimidinyl; R4 is alkyl; R5 is pyridyl; benzoxazolyl; pyrimidinyl; pyridazinyl; quinoxalinyl; pyrazinyl; or quinazolinyl; wherein the pyridyl; benzoxazolyl; pyrimidinyl; pyridazinyl; quinoxalinyl; pyrazinyl; or quinazolinyl is optionally substituted with one or two substituents independently selected from the group consisting of alkyl, halo, or phenyl; and R6 is H or alkyl. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及公式I的化合物：其中X为CR1或N; Y为CR2或N; Z为NH或O; R1为烷氧基、三唑基、噁唑基、异噁唑基、噁二唑基或嘧啶基; R2为氢、烷基或卤素; R3为氢、烷基、烷氧基、卤素、三唑基、噁唑基或嘧啶基; R4为烷基; R5为吡啶基、苯并噁唑基、嘧啶基、吡啶嗪基、喹喔啉基、吡嗪基或喹唑啉基; 其中吡啶基、苯并噁唑基、嘧啶基、吡啶嗪基、喹喔啉基、吡嗪基或喹唑啉基可以选择地用一个或两个取代基独立地选自烷基、卤素或苯基; R6为氢或烷基。还描述了制备公式I化合物的方法。本发明还涉及包括公式I化合物的制药组合物。使用本发明化合物的方法也属于本发明的范围。
• SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：COATE Heather R.

  公开号：US20160046599A1

  公开（公告）日：2016-02-18

  The present invention is directed to compounds of Formula I: wherein X is CR 1 or N; Y is CR 2 or N; Z is NH or O; R 1 is alkoxy, triazolyl, oxazolyl, isoxazolyl, oxadiazolyl, or pyrimidinyl; R 2 is H, alkyl, or halo; R 3 is H, alkyl, alkoxy, halo, triazolyl, oxazolyl, or pyrimidinyl; R 4 is alkyl; R 5 is pyridyl; benzoxazolyl; pyrimidinyl; pyridazinyl; quinoxalinyl; pyrazinyl; or quinazolinyl; wherein the pyridyl; benzoxazolyl; pyrimidinyl; pyridazinyl; quinoxalinyl; pyrazinyl; or quinazolinyl is optionally substituted with one or two substituents independently selected from the group consisting of alkyl, halo, or phenyl; and R 6 is H or alkyl. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods using the compounds of the invention are also within the scope of the invention.

  本发明涉及式I的化合物：其中X为CR1或N; Y为CR2或N; Z为NH或O; R1为烷氧基，三唑基，噁唑基，异噁唑基，噁二唑基或嘧啶基; R2为氢，烷基或卤素; R3为氢，烷基，烷氧基，卤素，三唑基，噁唑基或嘧啶基; R4为烷基; R5为吡啶基; 苯并噁唑基; 嘧啶基; 吡啶二氮杂苯基; 喹喔啉基; 吡嗪基; 或喹唑啉基; 其中吡啶基; 苯并噁唑基; 嘧啶基; 吡啶二氮杂苯基; 喹喔啉基; 吡嗪基; 或喹唑啉基可选地被一个或两个独立选择的取代基取代，所述取代基选自烷基，卤素或苯基; R6为氢或烷基。还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的制药组合物。使用本发明中的化合物的方法也属于本发明的范围。
• Substituted 2-azabicycles and their use as orexin receptor modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US09447117B2

  公开（公告）日：2016-09-20

  The present invention is directed to compounds of Formula I: wherein X is N or CR1; Y is N or CR2; R1 is H, alkoxy, halo, triazolyl, pyrimidinyl, oxazolyl, isoxazole, oxadiazolyl, or pyrazolyl; R2 is H, alkyl, alkoxy, or halo; Z is NH or O; R3 is H, alkyl, alkoxy, halo, or triazolyl; R4 is H or alkyl; or R3 and R4, together with the atoms to which they are attached, form a 6- membered aryl ring or a 5- or 6-membered heteroaryl ring; R5 is pyridyl, pyrazinyl, or pyrimidinyl, wherein the pyridyl, pyrazinyl, or pyrimidinyl is optionally substituted with halo or alkyl; and n is 1 or 2. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及化合物I的配方：其中X为N或CR1; Y为N或CR2; R1为H，烷氧基，卤素，三唑基，嘧啶基，噁唑基，异噁唑基，氧代噻唑基或吡唑基; R2为H，烷基，烷氧基或卤素; Z为NH或O; R3为H，烷基，烷氧基，卤素或三唑基; R4为H或烷基; 或R3和R4与它们连接的原子一起形成一个6元芳香环或5或6元杂芳环; R5为吡啶基，吡嗪基或嘧啶基，其中吡啶基，吡嗪基或嘧啶基可以选择性地用卤素或烷基取代; n为1或2。还描述了制备化合物I的方法。本发明还涉及包含化合物I的制药组合物。使用本发明中化合物的方法也在本发明范围内。
• US2014/275095
  申请人：——

  公开号：——

  公开（公告）日：——
• US20140275095A1
  申请人：——

  公开号：——

  公开（公告）日：——