N-(4-chlorobenzyl)-1-ethyl-9-(morpholin-4-ylmethyl)-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide | 552884-04-5

• 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-chlorobenzyl)-1-ethyl-9-(morpholin-4-ylmethyl)-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide
• 英文别名: N-[(4-chlorophenyl)methyl]-4-ethyl-7-(morpholin-4-ylmethyl)-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
• CAS: 552884-04-5
• 化学式: C₂₆H₂₇ClN₄O₄
• 分子量: 494.978
• InChiKey: KISRJSQPXLFKQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 N-(4-chlorobenzyl)-1-ethyl-9-(morpholin-4-ylmethyl)-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-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

• PYRIDOQUINOXALINE ANTIVIRALS
  申请人：——

  公开号：US20030130255A1

  公开（公告）日：2003-07-10

  The present invention provides a compound of formula I 1 or a pharmaceutically acceptable salt thereof wherein R 1 and R 2 are as defined in the specification. The compounds are useful for the treatment of viral infections.

  本发明提供了一种具有化学式I1的化合物或其药用可接受的盐，其中R1和R2如规范中定义。这些化合物对于治疗病毒感染是有用的。
• Pyridoquinoxaline antivirals
  申请人：——

  公开号：US20040106596A1

  公开（公告）日：2004-06-03

  The present invention provides a compound of formula I 1 or a pharmaceutically acceptable salt thereof wherein R 1 and R 2 are as defined in the specification. The compounds are useful for the treatment of viral infections.

  本发明提供了化合物I1或其药学上可接受的盐，其中R1和R2如规范中所定义。这些化合物对于治疗病毒感染是有用的。
• US6686356B2
  申请人：——

  公开号：US6686356B2

  公开（公告）日：2004-02-03
• [EN] PYRIDOQUINOXALINE ANTIVIRALS<br/>[FR] ANTIVIRAUX DE PYRIDOQUINOXALINE
  申请人：UPJOHN CO

  公开号：WO2003053972A1

  公开（公告）日：2003-07-03

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein R?1 and R2¿ are as defined in the specification. The compounds are useful for the treatment of viral infections.