4-(2-异丙基-1H-咪唑-1-基)-3-硝基苯甲酸乙酯 | 1033715-54-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-异丙基-1H-咪唑-1-基)-3-硝基苯甲酸乙酯
• 英文名称: ethyl 4-(2-isopropyl-1H-imidazol-1-yl)-3-nitrobenzoate
• 英文别名: ethyl 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoate
• CAS: 1033715-54-6
• 化学式: C₁₅H₁₇N₃O₄
• 分子量: 303.318
• InChiKey: PQGPRZOFCJHEDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-异丙基-1H-咪唑-1-基)-3-硝基苯甲酸乙酯 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 ethyl 3-amino-4-(2-isopropyl-1H-imidazol-1-yl)benzoate
  参考文献：
  名称：

  QUINOXALINE DERIVATIVE

  摘要：

  公开号：

  EP2103613B1
• 作为产物：
  描述：

  2-异丙基咪唑 、 4-氟-3-硝基苯甲酸乙酯 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 4-(2-异丙基-1H-咪唑-1-基)-3-硝基苯甲酸乙酯
  参考文献：
  名称：

  QUINOXALINE DERIVATIVE

  摘要：

  公开号：

  EP2103613B1

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：Aska Pharmaceutical Co., Ltd.

  公开号：US08299080B2

  公开（公告）日：2012-10-30

  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 stands for hydrogen, halogen, alkyl, alkoxy, acyl, amino and the like, 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.

  本发明揭示了具有PDE9抑制活性的喹喔啉衍生物或其盐，可用作治疗尿急等药物。该化合物由式(I)表示： 其中，R1和R2各自独立地代表氢、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、碳环族、杂环族、COR9或SO2R9；R9代表氢、羟基、烷基、氨基、吡咯烷基、哌啶-1-基、吡啶-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。
• 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。
• Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors
  申请人：Okada Makoto

  公开号：US08829000B2

  公开（公告）日：2014-09-09

  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 stands for hydrogen, halogen, alkyl, alkoxy, acyl, amino and the like, 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.

  本发明揭示了一种具有PDE9抑制活性的喹喔啉衍生物或其盐，可用作治疗排尿困难等治疗剂。该化合物由公式（I）表示： 在公式中， R1和R2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代表氢、卤素、烷基、烯基、烷氧基、氰基或硝基； R6和R7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、吡啶并嗪-1-基等； X代表S或O； A1、A2和A3各自独立地代表N或C。