3-(pyrimidin-2-yl)pyridine-2-carboxylic acid | 1228431-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(pyrimidin-2-yl)pyridine-2-carboxylic acid
• 英文别名: 3-(pyrimidin-2-yl)picolinic acid；3-(2-pyrimidinyl)-2-pyridinecarboxylic acid；3-pyrimidin-2-ylpyridine-2-carboxylic acid
• CAS: 1228431-21-7
• 化学式: C₁₀H₇N₃O₂
• 分子量: 201.184
• InChiKey: RDOFZTRTPMRTIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(pyrimidin-2-yl)pyridine-2-carboxylic acid 、 (1S,4S,6S)-4-({[4-(trifluoromethyl)-2-pyridinyl]oxy}methyl)-3-azabicyclo[4.1.0]heptane 在 N,N-二异丙基乙胺 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 2.17h， 生成 (1S,4S,6S)-3-{[3-(2-pyrimidinyl)-2-pyridinyl]carbonyl}-4-({[4-(trifluoromethyl)-2-pyridinyl]oxy}methyl)-3-azabicyclo[4.1.0]heptane
  参考文献：
  名称：

  [EN] 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS
  [FR] 3 -AZABICYCLO [4.1.0] HEPTANES UTILISÉS COMME ANTAGONISTES DE L'OREXINE

  摘要：

  这项发明涉及3-氮杂双环[4.1.0]庚烷衍生物(I)及其作为促觉醒素受体拮抗剂的用途。

  公开号：

  WO2010122151A1
• 作为产物：
  描述：

  3-Pyrimidin-2-ylpyridine-2-carbonitrile 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 3-(pyrimidin-2-yl)pyridine-2-carboxylic acid
  参考文献：
  名称：

  NOVEL COMPOUNDS

  摘要：

  揭示了N-{[(1R,4S,6R)-3-(2-吡啶基甲酰基)-3-氮杂双环[4.1.0]庚-4-基]甲基}-2-杂环芳胺衍生物及其作为药物的用途。

  公开号：

  US20100144760A1

文献信息

• SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：COATE Heather R.

  公开号：US20160046640A1

  公开（公告）日：2016-02-18

  The present invention is directed to compounds of Formula I: wherein ring A is phenyl, naphihalenyl, pyridyl, quinolinyl, isoquinolinyl, imidazopyridyl, furanyi, tlisazolyl, isoxazolvl, pyrazolyl, imidazothiazolyi, benzimidazolyl, or indazolyi; R 1 is H, alky], aikoxy, hydroxyalkylene, OH, halo, phenyl, triazolyl, oxazolyl, isoxazofyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, piperazinyl, pyrazolyl, oxadiazolvl, pyrrolidinyl, thiophenyi, morpholinyl, or dialkyiamino; R 2 is H, alkyl, aikoxy, hydroxyalkylene, or halo; Z is NH, N-alkyl, or O; R 5 is pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, qumazolinyi, quinoxalinyl, pyrazolyl, benzoxazolyl, imidazopyrazinyl, triazolopyrazinyl, optionally substituted with a one or two substituents independently selected from the group consisting of alkyl, aikoxy, or halo; and n is 0 or 1, Methods of making the compounds of Formula 1 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.

  本发明涉及式I的化合物：其中环A为苯基、萘基、吡啶基、喹啉基、异喹啉基、咪唑吡啉基、呋喃基、噻唑基、异噁唑基、吡唑基、咪唑噻唑基、苯并咪唑基或吲哚基；R1为H、烷基、烷氧基、羟基烷基、OH、卤素、苯基、三唑基、噁唑基、异噁唑基、吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、哌嗪基、吡唑基、噁二唑基、吡咯烷基、噻吩基、吗啉基或二烷氨基；R2为H、烷基、烷氧基、羟基烷基或卤素；Z为NH、N-烷基或O；R5为吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、喹唑啉基、喹喹啉基、吡唑基、苯并噁唑基、咪唑吡嗪基、三唑咪唑基，可选地取代一个或两个独立选择自烷基、烷氧基或卤素的基团；n为0或1，还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的药物组合物。本发明还涉及使用该化合物的方法。
• SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20160075696A1

  公开（公告）日：2016-03-17

  The present invention is directed to compounds of Formula I: 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.

  本发明涉及式I的化合物：还描述了制备式I化合物的方法。该发明还涉及包含式I化合物的药物组合物。使用本发明化合物的方法也在本发明的范围内。
• 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS
  申请人：Amantini David

  公开号：US20120040991A1

  公开（公告）日：2012-02-16

  Disclosed are 3-azabicyclo[4.1.0]heptane derivatives of formula (I) and their use as orexin receptor antagonists.

  本发明涉及式(I)的3-氮杂双环[4.1.0]庚烷衍生物及其作为促进睡眠的药物使用的方法。
• Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US09156829B2

  公开（公告）日：2015-10-13

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein L, X, Ra, Rb, R1, R2 and R3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了公式(I)的化合物及其药学上可接受的盐，其中L、X、Ra、Rb、R1、R2和R3如规范中所定义，以及其制备过程、含有它们的药物组合物和它们在治疗方面的用途。
• 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。