3-fluoro-4-nitro-N-(4-pyridylmethyl)benzamide | 1033716-69-6

• 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-fluoro-4-nitro-N-(4-pyridylmethyl)benzamide
• 英文别名: 3-Fluoro-4-nitro-N-(4-pyridinylmethyl)benzamide；3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzamide
• CAS: 1033716-69-6
• 化学式: C₁₃H₁₀FN₃O₃
• 分子量: 275.239
• InChiKey: ORXKBTYIBXLPFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• QUINOXALINE DERIVATIVES
  申请人：Okada Makoto

  公开号：US20100048556A1

  公开（公告）日：2010-02-25

  The invention discloses quinoxaline derivatives or salts thereof having PDE9-inhibiting activity and being useful as treating agent of dysuria and the like, which are represented by the formula (I) in the formula, R 1 and R 2 each independently stands for hydrogen, halogen, alkyl, alkoxy, acyl, amino and the like, R 3 stands for alkyl, aryl, saturated carbocyclic group, saturated heterocyclic group, acyl and the like, R 4 stands for hydrogen, hydroxy, alkyl or amino, R 5 and R 8 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkoxy, cyano or nitro, R 6 and R 7 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkynyl, alkoxy, cyano, amino, carbocyclic group, heterocyclic group, COR 9 or SO 2 R 9 , R 9 stands for hydrogen, hydroxy, alkyl, amino, pyrrolidin- 1 -yl, piperidin-1-yl, pyperazin-1-yl or the like, X stands for S or O, and A 1 , A 2 and A 3 each independently stands for N or C.

  本发明揭示了具有PDE9抑制活性并可用作治疗排尿困难等的药物的喹啉衍生物或其盐，其由式（I）表示： 其中，R1和R2各自独立地表示氢、卤素、烷基、烷氧基、酰基、氨基等；R3表示烷基、芳基、饱和碳环族、饱和杂环族、酰基等；R4表示氢、羟基、烷基或氨基；R5和R8各自独立地表示氢、卤素、烷基、烯基、烷氧基、氰基或硝基；R6和R7各自独立地表示氢、卤素、烷基、烯基、炔基、烷氧基、氰基、氨基、碳环族、杂环族、COR9或SO2R9；R9表示氢、羟基、烷基、氨基、吡咯烷-1-基、哌啶-1-基、吡啶-1-基等；X表示S或O；A1、A2和A3各自独立地表示N或C。
• Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor
  申请人：OKADA Makoto

  公开号：US20130225572A1

  公开（公告）日：2013-08-29

  The invention discloses quinoxaline derivatives or salts thereof having PDE9-inhibiting activity and being useful as treating agent of dysuria and the like, which are represented by the formula (I) in the formula, R 1 and R 2 each independently stands for hydrogen, halogen, alkyl, alkoxy, acyl, amino and the like, R 3 stands for alkyl, aryl, saturated carbocyclic group, saturated heterocyclic group, acyl and the like, R 4 stands for hydrogen, hydroxy, alkyl or amino, R 5 and R 8 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkoxy, cyano or nitro, R 6 and R 7 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkynyl, alkoxy, cyano, amino, carbocyclic group, heterocyclic group, COR 9 or SO 2 R 9 , R 9 stands for hydrogen, hydroxy, alkyl, amino, pyrrolidin-1-yl, piperidin-1-yl, pyperazin-1-yl or the like, X stands for S or O, and A 1 , A 2 and A 3 each independently stands for N or C.

  本发明揭示了具有PDE9抑制活性并可用作治疗排尿困难等的治疗剂的喹喔啉衍生物或其盐，其由公式(I)表示： 在公式中， R1和R2分别独立地表示氢、卤素、烷基、烷氧基、酰基、氨基等； R3表示烷基、芳基、饱和碳环基、饱和杂环基、酰基等； R4表示氢、羟基、烷基或氨基； R5和R8分别独立地表示氢、卤素、烷基、烯基、烷氧基、氰基或硝基； R6和R7分别独立地表示氢、卤素、烷基、烯基、炔基、烷氧基、氰基、氨基、碳环基、杂环基、COR9或SO2R9； R9表示氢、羟基、烷基、氨基、吡咯烷-1-基、哌啶-1-基、吡啶并嗪-1-基等； X表示S或O； A1、A2和A3分别独立地表示N或C。
• SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：US20140336197A1

  公开（公告）日：2014-11-13

  The invention discloses quinoxaline derivatives or salts thereof having PDE9-inhibiting activity and being useful as treating agent of dysuria and the like, which are represented by the formula (I) in the formula, R 1 and R 2 each independently stands for hydrogen, halogen, alkyl, alkoxy, acyl, amino and the like, R 3 stands for alkyl, aryl, saturated carbocyclic group, saturated heterocyclic group, acyl and the like, R 4 stands for hydrogen, hydroxy, alkyl or amino, R 5 and R 8 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkoxy, cyano or nitro, R 6 and R 7 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkynyl, alkoxy, cyano, amino, carbocyclic group, heterocyclic group, COR 9 or SO 2 R 9 , R 9 stands for hydrogen, hydroxy, alkyl, amino, pyrrolidin-1-yl, piperidin-1-yl, pyperazin-1-yl or the like, X stands for S or O, and A 1 , A 2 and A 3 each independently stands for N or C.

  本发明公开了一种具有PDE9抑制活性并可用作治疗排尿困难等的奎诺克赖烷衍生物或其盐，其由式（I）表示，在该式中，R1和R2分别独立地代表氢、卤素、烷基、烷氧基、酰基、氨基等，R3代表烷基、芳基、饱和碳环族、饱和杂环族、酰基等，R4代表氢、羟基、烷基或氨基，R5和R8分别独立地代表氢、卤素、烷基、烯基、烷氧基、氰基或硝基，R6和R7分别独立地代表氢、卤素、烷基、烯基、炔基、烷氧基、氰基、氨基、碳环族、杂环族、COR9或SO2R9，R9代表氢、羟基、烷基、氨基、吡咯烷-1-基、哌啶-1-基、吡啶-1-基或类似物，X代表S或O，A1、A2和A3分别独立地代表N或C。
• Quinoxaline derivative
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP2489667A1

  公开（公告）日：2012-08-22

  The invention discloses quinoxaline derivatives or salts thereof having PDE9-inhibiting activity and being useful as treating agent of dysuria and the like, which are represented by the formula (I) in the formula, R1 stands for C1-6 alkyl, R2 is absent, R3 stands for alkyl, aryl, saturated carbocyclic group, saturated heterocyclic group, acyl and the like, R4 stands for hydrogen, hydroxy, alkyl or amino, R5 and R8 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkoxy, cyano or nitro, R6 and R7 each independently stands for hydrogen, halogen, alkyl, alkenyl, alkynyl, alkoxy, cyano, amino, carbocyclic group, heterocyclic group, COR9 or SO2R9, R9 stands for hydrogen, hydroxy, alkyl, amino, pyrrolidin-1-yl, piperidin-1-yl, pyperazin-1-yl or the like, X stands for S or O, and A1, A2 and A3 each independently stands for N or C.

  本发明公开了具有 PDE9 抑制活性的喹喔啉衍生物或其盐类，可用作排尿困难等的治疗剂，它们由式 (I) 表示 式中 R1 代表 C1-6 烷基、 R2 不存在、 R3 代表烷基、芳基、饱和碳环基、饱和杂环基、酰基等、 R4 代表氢、羟基、烷基或氨基、 R5 和 R8 各自独立地代表氢、卤素、烷基、烯基、烷氧基、氰基或硝基、 R6 和 R7 各自独立地代表氢、卤素、烷基、烯基、炔基、烷氧基、氰基、氨基、碳环基团、杂环基团、COR9 或 SO2R9、 R9 代表氢、羟基、烷基、氨基、吡咯烷-1-基、哌啶-1-基、哌嗪-1-基或类似基团、 X代表S或O，A1、A2和A3各自独立地代表N或C。
• Quinoxaline derivatives
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP2848620A1

  公开（公告）日：2015-03-18

  The invention discloses quinoxaline derivatives or salts thereof having PDE9-inhibiting activity and being useful as treating agent of dysuria and the like, which are represented by the formula (I) in the formula, R1 and R2 each independently are hydrogen or C1-6 alkyl; R3 is C1-9 alkyl or C2-9 alkenyl each of which may be substituted with carboxy or C1-6 alkoxycarbonyl; R4 is hydrogen; R5 and R8 are hydrogen; R6 and R7 each independently are hydrogen; C1-6 alkyl or C1-6 alkoxy each of which is optionally substituted with halogen; X is O; A1, A2 and A3 are C, or a salt thereof.

  本发明公开了具有 PDE9 抑制活性的喹喔啉衍生物或其盐类，可用作排尿困难等的治疗剂，它们由式 (I) 表示 式中 R1 和 R2 各自独立地为氢或 C1-6 烷基； R3 是 C1-9 烷基或 C2-9 烯基，其中每个烷基可被羧基或 C1-6 烷氧基羰基取代； R4 是氢 R5 和 R8 是氢 R6和R7各自独立地为氢、C1-6烷基或C1-6烷氧基，其中每个可任选被卤素取代； X 是 O； A1、A2 和 A3 为 C.A.或 C.A.、 或其盐。