S-phenyl 3-((4-chlorobenzyl)carbamoyl)-8-fluoro-4-hydroxyquinoline-6-carbothioate | 1224582-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: S-phenyl 3-((4-chlorobenzyl)carbamoyl)-8-fluoro-4-hydroxyquinoline-6-carbothioate
• CAS: 1224582-34-6
• 化学式: C₂₄H₁₆ClFN₂O₃S
• 分子量: 466.92
• InChiKey: UGCQXVCDFMDLPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  79.29
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  S-phenyl 3-((4-chlorobenzyl)carbamoyl)-8-fluoro-4-hydroxyquinoline-6-carbothioate 在 锂硼氢 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以82%的产率得到N-(4-chlorobenzyl)-8-fluoro-4-hydroxy-6-(hydroxymethyl)-3-quinolinecarboxamide
  参考文献：
  名称：

  The design and development of 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides as inhibitors of human cytomegalovirus polymerase

  摘要：

  Discovery efforts were focused on identifying a non-nucleoside antiviral for treating infections caused by human cytomegalovirus (HCMV) with equal or better potency and diminished toxicity compared to current therapeutics. This Letter describes the HCMV DNA polymerase inhibition and in vitro antiviral activity of various 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.094
• 作为产物：
  描述：

  N-[(4-chlorophenyl)methyl]-8-fluoro-4-hydroxy-6-iodo-3-quinolinecarboxamide 、 一氧化碳 、 苯硫酚 在 四(三苯基膦)钯 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 90.0 ℃ 、101.33 kPa 条件下， 反应 1.25h， 以82%的产率得到S-phenyl 3-((4-chlorobenzyl)carbamoyl)-8-fluoro-4-hydroxyquinoline-6-carbothioate
  参考文献：
  名称：

  The design and development of 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides as inhibitors of human cytomegalovirus polymerase

  摘要：

  Discovery efforts were focused on identifying a non-nucleoside antiviral for treating infections caused by human cytomegalovirus (HCMV) with equal or better potency and diminished toxicity compared to current therapeutics. This Letter describes the HCMV DNA polymerase inhibition and in vitro antiviral activity of various 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.094