ethyl N-(2-benzoyl-5-bromo-1-benzofuran-3-yl)-N-methylcarbamate | 1431434-47-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl N-(2-benzoyl-5-bromo-1-benzofuran-3-yl)-N-methylcarbamate
• CAS: 1431434-47-7
• 化学式: C₁₉H₁₆BrNO₄
• 分子量: 402.244
• InChiKey: PSUUCPMQRPUEMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl N-(2-benzoyl-5-bromo-1-benzofuran-3-yl)-N-methylcarbamate 在 ammonium acetate 作用下， 以64%的产率得到
  参考文献：
  名称：

  Nucleotide competing reverse transcriptase inhibitors: Discovery of a series of non-basic benzofurano[3,2-d]pyrimidin-2-one derived inhibitors

  摘要：

  A HTS screen led to the identification of a benzofurano[3,2-d]pyrimidin-2-one core structure which upon further optimization resulted in 1 as a potent HIV-1 nucleotide competing reverse transcriptase inhibitor (NcRTI). Investigation of the SAR at N-1 allowed significant improvements in potency and when combined with the incorporation of heterocycles at C-8 resulted in potent analogues not requiring a basic amine to achieve antiviral activity. Additional modifications at N-1 resulted in 33 which demonstrated excellent antiviral potency and improved physicochemical properties. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.02.021