N-[(4-chlorophenyl)methyl]-7-[[[(2S)-2-hydroxy-2-pyrazin-2-ylethyl]-methylamino]methyl]-4-methyl-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide | 1224582-42-6

• 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: N-[(4-chlorophenyl)methyl]-7-[[[(2S)-2-hydroxy-2-pyrazin-2-ylethyl]-methylamino]methyl]-4-methyl-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
• CAS: 1224582-42-6
• 化学式: C₂₈H₂₇ClN₆O₄
• 分子量: 547.013
• InChiKey: YHCFOSVYZUQLMX-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-2-(1-hydroxy-2-N-methylamino-ethyl)-pyrazine 、 N-(4-chlorobenzyl)-9-(chloromethyl)-1-methyl-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-[(4-chlorophenyl)methyl]-7-[[[(2S)-2-hydroxy-2-pyrazin-2-ylethyl]-methylamino]methyl]-4-methyl-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
  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

文献信息

• 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
  作者：Steven P. Tanis、Joseph W. Strohbach、Timothy T. Parker、Malcom W. Moon、Suvit Thaisrivongs、William R. Perrault、Todd A. Hopkins、Mary L. Knechtel、Nancee L. Oien、Janet L. Wieber、Kevin J. Stephanski、Michael W. Wathen

  DOI：10.1016/j.bmcl.2010.01.094

  日期：2010.3

  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.