(R)-N-(3-(benzofuran-5-yloxy)-2-hydroxypropyl)-N-isobutyl-3,4-dimethoxybenzene sulfonamide | 1373162-72-1

• 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: (R)-N-(3-(benzofuran-5-yloxy)-2-hydroxypropyl)-N-isobutyl-3,4-dimethoxybenzene sulfonamide
• 英文别名: N-[(2R)-3-(benzofuran-5-yloxy)-2-hydroxy-propyl]-N-isobutyl-3,4-dimethoxy-benzenesulfonamide；N-[(2R)-3-(1-benzofuran-5-yloxy)-2-hydroxypropyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
• CAS: 1373162-72-1
• 化学式: C₂₃H₂₉NO₇S
• 分子量: 463.552
• InChiKey: PNSTULBFTNIZBJ-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (R)-5-(oxiran-2-ylmethoxy)benzofuran 在 三乙胺 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 48.0h， 生成 (R)-N-(3-(benzofuran-5-yloxy)-2-hydroxypropyl)-N-isobutyl-3,4-dimethoxybenzene sulfonamide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel small non-peptidic HIV-1 PIs: The benzothiophene ring as an effective moiety

  摘要：

  Synthesis and biological evaluation of a new series of potential HIV-1 protease inhibitors incorporating different heterocycles are described. The variation of heteroatom in such molecules has displayed totally different biological activities and a benzothiophene containing inhibitor has shown high potency against wild type HIV-1 protease with IC50 = 60 nM, thanks to the lower desolvation penalty to be payed by such hydrophobic moiety. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.046

文献信息

• Synthesis and biological evaluation of novel small non-peptidic HIV-1 PIs: The benzothiophene ring as an effective moiety
  作者：Lucia Chiummiento、Maria Funicello、Paolo Lupattelli、Francesco Tramutola、Federico Berti、Francesca Marino-Merlo

  DOI：10.1016/j.bmcl.2012.02.046

  日期：2012.4

  Synthesis and biological evaluation of a new series of potential HIV-1 protease inhibitors incorporating different heterocycles are described. The variation of heteroatom in such molecules has displayed totally different biological activities and a benzothiophene containing inhibitor has shown high potency against wild type HIV-1 protease with IC50 = 60 nM, thanks to the lower desolvation penalty to be payed by such hydrophobic moiety. (C) 2012 Elsevier Ltd. All rights reserved.