N-(5-{2-[3-(4,4-diethyl-8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulphonamide | 906648-82-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N-(5-{2-[3-(4,4-diethyl-8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulphonamide
• 英文别名: N-[5-[2-[[4-(4,4-diethyl-8-methoxy-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
• CAS: 906648-82-6
• 化学式: C₂₇H₃₉N₃O₇S
• 分子量: 549.689
• InChiKey: DIPFJPPOCUOFBS-UHFFFAOYSA-N

物化性质

• 沸点：
  710.8±70.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(2-benzyloxy-5-{2-[3-(4,4-diethyl-8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-methanesulphonamide trifluoroacetate 、 2,2,2-三氟乙酸盐 生成 N-(5-{2-[3-(4,4-diethyl-8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulphonamide
  参考文献：
  名称：

  NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES

  摘要：

  本发明涉及使用通式1中的化合物，其中基团R1、R2和R3可以具有在权利要求书和说明书中指定的含义，用于制备用于治疗呼吸道疾病的药物组合物，以及通式1的新化合物、制备它们的过程和含有它们的药物制剂。

  公开号：

  US20060189605A1

文献信息

• PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES
  申请人：Konetzki Ingo

  公开号：US20080051392A1

  公开（公告）日：2008-02-28

  The present invention relates to new pharmaceutical combinations which contain in addition to one or more, preferably one compound of general formula 1 wherein the groups R 1 , R 2 and R 3 may have the meanings given in the claims and specification, at least one further active substance 2, processes for preparing them and their use as medicaments.

  本发明涉及包含除了一个或多个一般式1的化合物之外，至少一个进一步的活性物质2的新药物组合，其中R1、R2和R3基团可能具有权利要求和说明书中给定的含义，以及其制备方法和作为药物的用途。
• ENANTIOMERICALLY PURE BETA AGONISTS, MANUFACTURING AND USE THEREOF
  申请人：KONETZKI Ingo

  公开号：US20080070909A1

  公开（公告）日：2008-03-20

  The present invention relates to enantiomerically pure compounds of formula 1 wherein the groups R 1 , R 2 , R 3 , m and Y m− may have the meanings given in the claims and specification, processes for preparing them and their use as medicaments, particularly as medicaments for the treatment of respiratory complaints.

  本发明涉及具有公式1的立体纯化合物，其中R1、R2、R3、m和Ym−可以具有如权利要求和说明书中所给出的含义，以及用于制备它们的方法以及它们作为药物的使用，尤其是作为治疗呼吸系统疾病的药物。
• Process for the manufacturing of pharmaceutically active compounds
  申请人：Santagostino Marco

  公开号：US20070112191A1

  公开（公告）日：2007-05-17

  A process for making a compound of formula 1 or a salt thereof, wherein: R 1 and R 2 are each independently H, halogen, or C 1-4 -alkyl, or R 1 and R 2 together are C 1-6 -alkylene; and R 3 is H, halogen, OH, C 1-4 -alkyl, or O—C 1-4 -alkyl, the process comprising: (a) reacting a compound of formula 6 wherein R 4 is benzyl, diphenylmethyl, or trityl, each optionally substituted at, if available, an aryl group or an aliphatic carbon atom, with a compound of formula 7 or a salt thereof, to obtain a compound of formula 5, or a salt thereof (b) reducing the nitro group of the compound of formula 5 to an amine group and mesylating this amine group and cleaving the protecting group during the reduction step or after the mesylation step to obtain the compound of formula 1.

  制备化合物1或其盐的方法，其中：R1和R2分别独立为H、卤素或C1-4-烷基，或者R1和R2一起是C1-6-烷基；而R3是H、卤素、羟基、C1-4-烷基或O—C1-4-烷基，该方法包括：(a) 与化合物6反应，其中R4为苄基、二苯甲基或三苯甲基，每个都可以在芳香族基团或脂肪碳原子上选择性地取代，以获得化合物5或其盐；(b) 还原化合物5的硝基基团为胺基，并在还原步骤期间或在甲磺酰化步骤之后将该胺基甲磺酰化并裂解保护基，以获得化合物1。
• AEROSOL FORMULATION FOR THE INHALATION OF BETA AGONISTS
  申请人：Nowak Michael

  公开号：US20080053430A1

  公开（公告）日：2008-03-06

  The present invention relates to a propellant-free aerosol formulation which contains one or more compounds of general formula 1 wherein the groups R 1 , R 2 , R 3 and X − may have the meanings indicated in the claims and in the specification, for inhalation.

  本发明涉及一种不含推进剂的气雾剂配方，其包含一个或多个通式1中所示的化合物，其中基团R1、R2、R3和X-可以具有在权利要求书和说明书中指示的含义，用于吸入。
• New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases
  申请人：KONETZKI Ingo

  公开号：US20110053926A1

  公开（公告）日：2011-03-03

  The present invention relates to the use of the compounds of general formula 1 wherein the groups R 1 , R 2 and R 3 may have the meanings specified in the claims and in the description, for preparing a pharmaceutical composition for the treatment of respiratory complaints, as well as new compounds of formula 1, processes for preparing them, and pharmaceutical formulations containing them.

  本发明涉及使用一般式1中的化合物，其中基团R1、R2和R3可以具有在权利要求和说明书中指定的含义，用于制备用于治疗呼吸道疾病的药物组成物，以及公式1的新化合物、制备它们的方法和含有它们的药物配方。