7-硝基-2,3,4,5-四氢-1H-苯并[b]氮杂卓 | 444588-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 7-硝基-2,3,4,5-四氢-1H-苯并[b]氮杂卓
• 中文别名: 7-硝基-2,3,4,5-四氢-1H-苯并[B]氮杂卓
• 英文名称: 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine
• 英文别名: 7-nitro-2,3,4,5-tetrahydro-1H,3-benzazepine；7-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• CAS: 444588-17-4
• 化学式: C₁₀H₁₂N₂O₂
• mdl: MFCD09832102
• 分子量: 192.217
• InChiKey: HWOWTNBPVSVMNF-UHFFFAOYSA-N

物化性质

• 沸点：
  354.0±31.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-硝基-2,3,4,5-四氢-1H-苯并[b]氮杂卓 在 palladium on activated charcoal 甲醇 、 碳酸氢钠 、 lithium tert-amoxide 、 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[(3-(1H,2H,3H,4H,5H-benzo[3,4-f]azaperhydroepin-7yl)-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017
• 作为产物：
  描述：

  1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮 在 硫酸 、 硼烷 、 硝酸 作用下， 以 四氢呋喃 为溶剂， 生成 7-硝基-2,3,4,5-四氢-1H-苯并[b]氮杂卓
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017

文献信息

• [EN] OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES D'OXAZOLIDINONES N-SUBSTITUES PAR UN NOYAU TRICYCLIQUE, DESTINES A ETRE UTILISES EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：WARNER LAMBERT CO

  公开号：WO2004069245A1

  公开（公告）日：2004-08-19

  Compounds of formula (I) and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula (I) as well as pharmaceutically acceptable compositions comprising compounds of formula (I). Compounds of formula (I) as disclosed herein can be used in a variety of applications including use as antibacterial P is a tricyclic ring system as defined in claiml.

  公式（I）的化合物及其制备方法已被披露。进一步披露了制备公式（I）生物活性化合物的方法，以及包含公式（I）化合物的药用可接受组合物的方法。本文披露的公式（I）化合物可用于各种应用，包括用作抗菌剂P是在权利要求1中定义的三环环系统。
• Oxazolidinones having a benzannulated 6- or 7-membered heterocycle
  申请人：——

  公开号：US20020133021A1

  公开（公告）日：2002-09-19

  The present invention provides oxazolidinones having a benzannelated 6- or 7-membered heterocycle as antibacterial agents.

  本发明提供了具有苯并环的6-或7-员杂环的噁唑烷酮类作为抗菌剂。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Bhatti Balwinder Singh

  公开号：US20120053168A1

  公开（公告）日：2012-03-01

  The present invention relates to compounds that bind to and modulate the activity of neuronal nicotinic acetylcholine receptors, to processes for preparing these compounds, to pharmaceutical compositions containing these compounds, and to methods of using these compounds for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central nervous system (CNS).

  本发明涉及与神经尼古丁乙酰胆碱受体结合并调节其活性的化合物，制备这些化合物的方法，包含这些化合物的药物组合物，以及使用这些化合物治疗各种疾病和疾病的方法，包括与中枢神经系统（CNS）功能障碍有关的疾病和疾病。
• Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors
  申请人：Ahmed Gulzar

  公开号：US20120165519A1

  公开（公告）日：2012-06-28

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。式I或II的化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。