4-bromo-2-nitrophenethylamine | 500303-68-4

• 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: 4-bromo-2-nitrophenethylamine
• 英文别名: 2-(4-bromo-2-nitrophenyl)ethylamine；(4-Bromo-2-nitrophenyl)ethylamine；2-(4-bromo-2-nitrophenyl)ethanamine
• CAS: 500303-68-4
• 化学式: C₈H₉BrN₂O₂
• 分子量: 245.076
• InChiKey: UFIXIPOOVGSPSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[2-(4-溴苯基)乙基]-2,2,2-三氟乙酰胺 在 sodium hydroxide 、 nitronium tetrafluoborate 、 水 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 0.25h， 生成 4-bromo-2-nitrophenethylamine
  参考文献：
  名称：

  EP1415983

  摘要：

  公开号：

文献信息

• Condensed derivatives of imidazole useful as pharmaceuticals
  申请人：LABORATOIRE BIODIM

  公开号：EP2913330A1

  公开（公告）日：2015-09-02

  The invention relates to the compounds (I) and their acids and bases salts: wherein: the dotted line indicates a double bond; X is N or C-R1 and Y is N or C-R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is Hydrogen or a substituent as defined in the application, or B is a (4-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, and possibly substituted as defined in the application; B not being Hydrogen when X is N and Y is C-R2; R1 is Hydrogen or a substituent as defined in the application; B and R1 cannot be simultaneously Hydrogen; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  该发明涉及化合物（I）及其酸盐和碱盐： 其中： 虚线表示双键； X为N或C-R1，Y为N或C-R2，X和Y不同时为N； A选自苯基、萘基和（5-11）成员单环或双环不饱和环或杂环，可能按申请中定义进行取代， A还可以包括另一个（4-7）成员杂环，该杂环为单环、融合、饱和或不饱和，多环系统则包括最多14个成员和最多5个N、O和S中选择的杂原子； B为氢或按申请中定义的取代基，或 B为含有1-3个N、O和S中选择的杂原子的（4-10）成员单环或双环饱和或不饱和杂环，并可能按申请中定义进行取代； 当X为N且Y为C-R2时，B不是氢； R1为氢或按申请中定义的取代基； B和R1不能同时为氢； R2为氢或卤素； 它们的制备，它们在抗菌预防和治疗中的用途，单独或与抗菌药物、抗毒力剂或增强宿主先天免疫力的药物联合使用，以及含有它们的药物组合物和联合物。
• 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor
  申请人：Okazaki Kosuke

  公开号：US20060111446A1

  公开（公告）日：2006-05-25

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R 1 is a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R 3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及一种5-酰胺基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物，其通式表示为：其中R1为氢原子或低碳基；R2表示氢原子、可选取代的低碳基等；R3为二(低碳基)氨基基团、低碳基、环烷基等；Q为氢原子或可选取代的低碳基；Z为氢原子或羟基等，或其药学上可接受的盐，具有强效和选择性的激活血凝因子X抑制活性，并可用作预防或治疗与激活血凝因子X相关的疾病的药物，以及包含该药物的制药组合物、其药用和中间体。
• 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor
  申请人：——

  公开号：US20040242455A1

  公开（公告）日：2004-12-02

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: 1 wherein R 1 is a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R 3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及一种由通式1表示的5-酰胺基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物，其中R1是氢原子或较低的烷基；R2表示氢原子、可选取代的较低烷基等；R3是二(较低烷基)氨基基团、较低烷基基团、环烷基等；Q是氢原子或可选取代的较低烷基；Z是氢原子或羟基等，或其药学上可接受的盐，该化合物具有强效和选择性的激活血凝因子X抑制活性，并可用作预防或治疗与激活血凝因子X相关的疾病的药物，以及包含该化合物的制药组合物、其药物用途和中间体。
• Medicaments
  申请人：Alberti John Michael

  公开号：US20050153978A1

  公开（公告）日：2005-07-14

  A method of treating an Msk-1 and/or ROCK(1 and 2) mediated disease or condition in a mammal comprising administration of an effective amount of a compounds of the formula (I) and physiologically acceptable salts thereof wherein, R 1 is a 5, or 6 membered heterocyclic group selected from group a, b, c or d wherein X 1 is a group selected from N or CR 7 and X 2 is a group selected from O, S or NR 8 ; X 3 and X 4 which may be the same or different is a group selected from N or CR 7 ; X 5 is a group selected from O, S or NR 8 and X 6 is N or CR 7 ; X 7 , X 8 and X 9 may be the same or different and selected from a group N or CR 7 , pharmaceutical compositions, novel compounds and processes for their preparation.

  一种治疗哺乳动物中MSK-1和/或ROCK（1和2）介导的疾病或病况的方法，包括给予化合物(I)及其生理上可接受的盐的有效量，其中，R1是从a、b、c或d组中选择的5个或6个成员的杂环基团，其中X1是选择自N或CR7的基团，X2是选择自O、S或NR8的基团；X3和X4可以相同或不同，是选择自N或CR7的基团；X5是选择自O、S或NR8的基团，X6是N或CR7；X7、X8和X9可以相同或不同，选择自N或CR7的基团；制备这些新化合物的药物组合物和方法。
• 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1415983A1

  公开（公告）日：2004-05-06

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is a hydrogen atom or a lower alkyl group; R2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及由通式表示的5-脒基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物： 其中 R1 是氢原子或低级烷基； R2 代表氢原子、任选取代的低级烷基等； R3 代表二（低级烷基）氨基、低级烷基、环烷基等； Q 是氢原子或任选取代的低级烷基；以及 Z 是氢原子或羟基等、 或其药学上可接受的盐、其药物组合物、其药物用途及其中间体。