2-乙基-5-硝基苯酚 | 90005-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-乙基-5-硝基苯酚
• 英文名称: 2-ethyl-5-nitro-phenol
• 英文别名: 2-Aethyl-5-nitro-phenol；5-nitro-2-ethylphenol；2-Ethyl-5-nitrophenol
• CAS: 90005-90-6
• 化学式: C₈H₉NO₃
• 分子量: 167.164
• InChiKey: CQFIMSVIDUTMLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙基-5-硝基苯酚 在 二硫化碳 、 sodium hydroxide 、 magnesium(II) nitrate 、 potassium permanganate 、 aluminum tri-bromide 、 硫酸二甲酯 作用下， 生成 2-羟基-4-硝基苯乙酮
  参考文献：
  名称：

  Kao; Pan, Huaxue Xuebao/Acta Chimica Sinica, 1958, vol. 24, p. 240,249

  摘要：

  DOI：
• 作为产物：
  描述：

  在 水 作用下， 反应 2.0h， 生成 2-乙基-5-硝基苯酚
  参考文献：
  名称：

  WO2007/38387

  摘要：

  公开号：

文献信息

• Heterocyclic biphenylylamides useful as 5HT1D antagonists
  申请人：SmithKline Beecham plc

  公开号：US05801170A1

  公开（公告）日：1998-09-01

  A compound of formula (I) or a salt thereof: ##STR1## wherein P is a 5 to 7 membered heterocyclic ring selected from the group consisting of thienyl, furyl, pyrrolyl, triazolyl, diazolyl, tetrazolyl, imidazolyl, oxadiazolyl, isothiazolyl, isoxazolyl, thiadiazolyl, pyridyl, pyrimdyl and pyrazinyl; R.sup.1, R.sup.2 and R.sup.3 are independently hydrogen, halogen, C.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, C.sub.3-6 cycloalkenyl, C.sub.1-6 alkoxy, hydroxyC.sub.1-6 alkyl, C.sub.1-6 alkylOC.sub.1-6 alkyl, alkanoyl, optionally substituted phenyl, alkanoyloxy, hydroxy, nitro, trifluoromethyl, cyano, CO.sub.2 R.sup.9,CONR.sup.10 R.sup.11 where R.sup.9, R.sup.10 and R.sup.11 are independently hydrogen or C.sub.1-6 alkyl; R.sup.4 and R.sup.5 are independently hydrogen or C.sub.1-6 alkyl; R.sup.6 is hydrogen, halogen, hydroxy, C.sub.1-6 alkyl or C.sub.1-6 alkoxy R.sup.7 and R.sup.8 are independently hydrogen, C.sub.1-6 alkyl, a optionally substituted phenylalkyl or together with the nitrogen atom to which they are attached form an optionally substituted 5- to 7-membered heterocyclic ring containing one or two heteroatoms selected from oxygen, nitrogen or sulphur; A is CONH or NHCO; B is oxygen, S(O)p where p is 0, 1 or 2, NR.sup.12 where R.sup.12 is hydrogen, C.sub.1-6 alkyl or phenylC.sub.1-6 alkyl, or B is CR.sup.4 .dbd.CR.sup.5 or CR.sup.4 R.sup.5 where R.sup.4 and R.sup.5 are independently hydrogen or C.sub.1-6 alkyl; m is 1 to 4; and n is 1 or 2.

  化合物的式(I)或其盐：##STR1## 其中P是从噻吩基、呋喃基、吡咯基、三唑基、二唑基、四唑基、咪唑基、噁二唑基、异噻唑基、异恶唑基、噻二唑基、吡啶基、嘧啶基和吡嗪基中选择的5至7元杂环；R.sup.1、R.sup.2和R.sup.3独立地表示氢、卤素、C.sub.1-6烷基、C.sub.3-6环烷基、C.sub.3-6环烯基、C.sub.1-6烷氧基、羟基C.sub.1-6烷基、C.sub.1-6烷氧基C.sub.1-6烷基、酰基、可选取代的苯基、酰氧基、羟基、硝基、三氟甲基、氰基、CO.sub.2R.sup.9、CONR.sup.10R.sup.11，其中R.sup.9、R.sup.10和R.sup.11独立地表示氢或C.sub.1-6烷基；R.sup.4和R.sup.5独立地表示氢或C.sub.1-6烷基；R.sup.6表示氢、卤素、羟基、C.sub.1-6烷基或C.sub.1-6烷氧基；R.sup.7和R.sup.8独立地表示氢、C.sub.1-6烷基、可选取代的苯基烷基，或者与它们所连接的氮原子一起形成一个选自氧、氮或硫的一个或两个杂原子的可选取代的5至7元杂环；A是CONH或NHCO；B是氧、S(O)p，其中p为0、1或2，NR.sup.12，其中R.sup.12表示氢、C.sub.1-6烷基或苯基C.sub.1-6烷基，或者B是CR.sup.4.dbd.CR.sup.5或CR.sup.4R.sup.5，其中R.sup.4和R.sup.5独立地表示氢或C.sub.1-6烷基；m为1至4；n为1或2。
• Non-basic melanin concentrating hormone receptor-1 antagonists
  申请人：Washburn N. William

  公开号：US20070093509A1

  公开（公告）日：2007-04-26

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.

  本申请提供了按照公式I提供的化合物，包括所有立体异构体、溶剂合物、前药和药学上可接受的形式。此外，本申请提供了含有至少一种按照公式I的化合物和可选的至少一种额外治疗剂的制药组合物。最后，本申请提供了通过给予按照公式I的化合物的治疗有效剂量来治疗患有MCHR-1调节的疾病或疾病，例如肥胖症、糖尿病、抑郁症或焦虑症的患者的方法。
• Phosphodiesterase 10 inhibitors
  申请人：Arrington Mark P.

  公开号：US20090099175A1

  公开（公告）日：2009-04-16

  The present invention if directed to certain cinnoline compounds that are PDE10 inhibitors, pharmaceutical compositions containing such compounds and processes for preparing such compounds. The invention is also directed to methods of treating diseases mediated by PDE10 enzyme, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  本发明涉及某些具有PDE10抑制剂作用的茚啉化合物，包括含有这些化合物的制药组合物和制备这些化合物的方法。该发明还涉及通过PDE10酶介导的疾病的治疗方法，例如肥胖症、非胰岛素依赖性糖尿病、精神分裂症、双相情感障碍、强迫症等。
• Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them
  申请人：Washburn William N.

  公开号：US08618115B2

  公开（公告）日：2013-12-31

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.

  本申请提供了公式I所示的化合物，包括所有立体异构体、溶剂化物、前药和药学上可接受的形式。此外，本申请还提供了含有至少一种公式I化合物和可选的至少一种其他治疗剂的药物组合物。最后，本申请提供了通过给患有MCHR-1调节性疾病或疾病的患者以公式I化合物的治疗有效剂量来治疗患者的方法，例如肥胖症、糖尿病、抑郁症或焦虑症。
• Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists
  申请人：Bristol-Myers Squibb Company

  公开号：EP2298776A1

  公开（公告）日：2011-03-23

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula 1.

  本申请提供了根据式 I 的化合物，包括其所有立体异构体、溶解物、原药和药学上可接受的形式。此外，本申请还提供了含有至少一种根据式 I 的化合物和可选的至少一种额外治疗剂的药物组合物。最后，本申请提供了通过施用治疗有效剂量的根据式 1 的化合物来治疗患有 MCHR-1 调节的疾病或紊乱的患者的方法，例如肥胖症、糖尿病、抑郁症或焦虑症。