1-(3-溴丙氧基)-4-氯-2-硝基苯 | 848589-64-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-溴丙氧基)-4-氯-2-硝基苯
• 英文名称: 1-(3-Bromo-propoxy)-4-chloro-2-nitro-benzene
• 英文别名: 1-(3-Bromopropoxy)-4-chloro-2-nitrobenzene
• CAS: 848589-64-0
• 化学式: C₉H₉BrClNO₃
• 分子量: 294.532
• InChiKey: DAAVBACJPVLJIS-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±32.0 °C(Predicted)
• 密度：
  1.605±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-溴丙氧基)-4-氯-2-硝基苯 在 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 3-(4-chloro-2-nitrophenoxy)-1-propylamine
  参考文献：
  名称：

  Selective Small Molecules Blocking HIV-1 Tat and Coactivator PCAF Association

  摘要：

  Development of drug resistance from mutations in the targeted viral proteins leads to continuation of viral production by chronically infected cells, contributing to HIV-mediated immune dysfunction. Targeting a host cell protein essential for viral reproduction, rather than a viral protein, may minimize the viral drug resistance problem as observed with HIV protease inhibitors. We report here the development of a novel class of N1-aryl-propane-1,3-diamine compounds using a structure-based approach that selectively inhibit the activity of the bromodomain of the human transcriptional co-activator PCAF, of which association with the HIV trans-activator Tat is essential for transcription and replication of the integrated HIV provirus.

  DOI：

  10.1021/ja044885g
• 作为产物：
  描述：

  4-氯-2-硝基苯酚 、 3-溴-1-丙醇 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到1-(3-溴丙氧基)-4-氯-2-硝基苯
  参考文献：
  名称：

  NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS

  摘要：

  本发明涉及作为CC趋化因子受体，如CCR1的配体的新型吗啉、恶唑烷和哌啶衍生物。该发明还涉及制备这些化合物的方法、包含这些化合物的组合物以及使用这些化合物的治疗方法。

  公开号：

  US20100168080A1

文献信息

• [EN] NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX COMPOSÉS UTILES COMME LIGANDS DE RÉCEPTEUR DE CHÉMOKINE CC
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010077915A1

  公开（公告）日：2010-07-08

  The present invention relates to novel morpholine, oxazapane and piperidine derivatives that act as ligands for CC chemokine receptors, such as CCRl. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.
• NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS
  申请人：KHAMRAI Uttam

  公开号：US20100168080A1

  公开（公告）日：2010-07-01

  The present invention relates to novel morpholine, oxazapane and piperidine derivatives that act as ligands for CC chemokine receptors, such as CCR1. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为CC趋化因子受体，如CCR1的配体的新型吗啉、恶唑烷和哌啶衍生物。该发明还涉及制备这些化合物的方法、包含这些化合物的组合物以及使用这些化合物的治疗方法。
• Selective Small Molecules Blocking HIV-1 Tat and Coactivator PCAF Association
  作者：Lei Zeng、Jiaming Li、Michaela Muller、Sherry Yan、Shiraz Mujtaba、Chongfeng Pan、Zhiyong Wang、Ming-Ming Zhou

  DOI：10.1021/ja044885g

  日期：2005.3.1

  Development of drug resistance from mutations in the targeted viral proteins leads to continuation of viral production by chronically infected cells, contributing to HIV-mediated immune dysfunction. Targeting a host cell protein essential for viral reproduction, rather than a viral protein, may minimize the viral drug resistance problem as observed with HIV protease inhibitors. We report here the development of a novel class of N1-aryl-propane-1,3-diamine compounds using a structure-based approach that selectively inhibit the activity of the bromodomain of the human transcriptional co-activator PCAF, of which association with the HIV trans-activator Tat is essential for transcription and replication of the integrated HIV provirus.