N-(2-methyl-5-nitrophenyl)propane-1,3-diamine

• 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: N-(2-methyl-5-nitrophenyl)propane-1,3-diamine
• 英文别名: N'-(2-methyl-5-nitrophenyl)propane-1,3-diamine
• 化学式: C₁₀H₁₅N₃O₂
• 分子量: 209.248
• InChiKey: AHTJNLJMKMWJIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-4-硝基甲苯 在 一水合肼 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 N-(2-methyl-5-nitrophenyl)propane-1,3-diamine
  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

文献信息

• 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.