1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione | 61352-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione
• 英文别名: 1-methyl-7-trifluoromethyl-1,5-benzodiazepine-2,4-(3H,5H)-dione；1-Methyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione；1-methyl-7-(trifluoromethyl)-5H-1,5-benzodiazepine-2,4-dione
• CAS: 61352-54-3
• 化学式: C₁₁H₉F₃N₂O₂
• 分子量: 258.2
• InChiKey: BHWNEQDLOZNORH-UHFFFAOYSA-N

物化性质

• 沸点：
  475.0±45.0 °C(Predicted)
• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione 在 copper diacetate 作用下， 以 二氯甲烷 为溶剂， 生成 3-dimethylaminomethylene-1-methyl-5-phenyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione
  参考文献：
  名称：

  Discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly

  摘要：

  The discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly is described. Synthesis of analogs of the 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione hit established structure-activity relationships. Replacement of the enamine functionality of the hit series with either an imidazole or a pyrazole ring led to compounds that inhibited both capsid assembly and reverse transcriptase. Optimization of the bicyclic benzodiazepine scaffold to include a 3-phenyl substituent led to lead compound 48, a pure capsid assembly inhibitor with improved antiviral activity. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.131
• 作为产物：
  描述：

  N-甲基-2-硝基-4-三氟甲基苯胺 以 四氢呋喃 为溶剂， 生成 1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione
  参考文献：
  名称：

  Discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly

  摘要：

  The discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly is described. Synthesis of analogs of the 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione hit established structure-activity relationships. Replacement of the enamine functionality of the hit series with either an imidazole or a pyrazole ring led to compounds that inhibited both capsid assembly and reverse transcriptase. Optimization of the bicyclic benzodiazepine scaffold to include a 3-phenyl substituent led to lead compound 48, a pure capsid assembly inhibitor with improved antiviral activity. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.131

文献信息

• Rhododendron plant named ‘WHA01’
  申请人：Harrell Winfred

  公开号：USPP028972P2

  公开（公告）日：2018-02-20

  A new and distinct Rhododendron cultivar named ‘WHA01’ is disclosed, characterized by distinctive full double pink flowers. Plants are upright and vigorous. Plants bloom Spring, Summer and Fall and exhibit good tolerance to environmental stressors. The new cultivar is a Rhododendron , suitable for ornamental garden purposes.

  一种新的、独特的杜鹃花(Rhododendron)栽培品种，命名为‘WHA01’，其特点为具有独特的全双重粉色花朵。植株直立且生长旺盛。植株在春季、夏季和秋季开花，具有良好的环境适应性。这个新的栽培品种是一种适合装饰花园用途的杜鹃花。
• US28972
  申请人：——

  公开号：——

  公开（公告）日：——
• Bioorg. Med. Chem. Lett. 2011, 21, 398-404
  作者：

  DOI：——

  日期：——
• USRE28972E
  申请人：——

  公开号：USRE28972E

  公开（公告）日：1976-09-21
• Discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly
  作者：Lee D. Fader、Richard Bethell、Pierre Bonneau、Michael Bös、Yves Bousquet、Michael G. Cordingley、René Coulombe、Patrick Deroy、Anne-Marie Faucher、Alexandre Gagnon、Nathalie Goudreau、Chantal Grand-Maître、Ingrid Guse、Oliver Hucke、Stephen H. Kawai、Jean-Eric Lacoste、Serge Landry、Christopher T. Lemke、Eric Malenfant、Stephen Mason、Sébastien Morin、Jeff O’Meara、Bruno Simoneau、Steve Titolo、Christiane Yoakim

  DOI：10.1016/j.bmcl.2010.10.131

  日期：2011.1

  The discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly is described. Synthesis of analogs of the 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione hit established structure-activity relationships. Replacement of the enamine functionality of the hit series with either an imidazole or a pyrazole ring led to compounds that inhibited both capsid assembly and reverse transcriptase. Optimization of the bicyclic benzodiazepine scaffold to include a 3-phenyl substituent led to lead compound 48, a pure capsid assembly inhibitor with improved antiviral activity. (c) 2010 Elsevier Ltd. All rights reserved.