1-[3-amino-4-(2-cyclohexyl-1H-imidazol-1-yl)benzenesulfonyl]-4-methylpiperazine | 1033716-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[3-amino-4-(2-cyclohexyl-1H-imidazol-1-yl)benzenesulfonyl]-4-methylpiperazine
• 英文别名: 2-(2-Cyclohexylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)sulfonylaniline
• CAS: 1033716-28-7
• 化学式: C₂₀H₂₉N₅O₂S
• 分子量: 403.549
• InChiKey: NIGTUNKTXWXZGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  92.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase
  申请人：Apodaca Richard

  公开号：US20060173184A1

  公开（公告）日：2006-08-03

  Certain piperazinyl and piperidinyl urea compounds are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity. Thus, the compounds may be administered to treat, e.g., anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders (such as multiple sclerosis).

  某些哌嗪基和哌啶基脲类化合物可作为FAAH抑制剂。这些化合物可用于制备药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态、紊乱和病况的方法。因此，这些化合物可用于治疗焦虑、疼痛、炎症、睡眠障碍、进食障碍或运动障碍（如多发性硬化症）等疾病。
• PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE
  申请人：Apodaca Richard

  公开号：US20100004261A1

  公开（公告）日：2010-01-07

  Certain piperazinyl and piperidinyl urea compounds are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity. Thus, the compounds may be administered to treat, e.g., anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders (such as multiple sclerosis).

  某些哌嗪基和哌啶基脲类化合物可用作FAAH抑制剂。这些化合物可以用于制备药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态，障碍和病况的方法。因此，这些化合物可以被用于治疗例如焦虑，疼痛，炎症，睡眠障碍，进食障碍或运动障碍（如多发性硬化症）等疾病。
• 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。