N-(4-chlorobenzyl)-2-(chloromethyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]-pyridine-5-carboxamide | 672326-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: N-(4-chlorobenzyl)-2-(chloromethyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]-pyridine-5-carboxamide
• 英文别名: N-(4-chlorobenzyl)-2-(chloromethyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide；2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-7-[2-(oxan-2-yloxy)ethyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
• CAS: 672326-12-4
• 化学式: C₂₃H₂₄Cl₂N₂O₄S
• 分子量: 495.427
• InChiKey: QULAIECJFBJMRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  96.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-chlorobenzyl)-2-(chloromethyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]-pyridine-5-carboxamide 在 高氯酸 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-chlorobenzyl)-2-((((2R)-2-(2-furyl)-2-hydroxyethyl)(methyl)amino)methyl)-7-(2-hydroxyethyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
  参考文献：
  名称：

  2-Aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridines as broad-spectrum inhibitors of human herpesvirus polymerases

  摘要：

  A novel series of 2-aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides have been identified as potent antivirals against human herpesviruses. These compounds demonstrate broad-spectrum inhibition of the herpesvirus polymerases HCMV, HSV-1, EBV, and VZV with high specificity compared to human DNA polymerases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.102
• 作为产物：
  描述：

  四氢-2-(2-碘乙氧基)-2H-吡喃 在 2,4,6-三甲基吡啶 、 4-二甲氨基吡啶 、 caesium carbonate 、 甲基磺酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-chlorobenzyl)-2-(chloromethyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]-pyridine-5-carboxamide
  参考文献：
  名称：

  2-Aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridines as broad-spectrum inhibitors of human herpesvirus polymerases

  摘要：

  A novel series of 2-aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides have been identified as potent antivirals against human herpesviruses. These compounds demonstrate broad-spectrum inhibition of the herpesvirus polymerases HCMV, HSV-1, EBV, and VZV with high specificity compared to human DNA polymerases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.102

文献信息

• [EN] ARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DERIVES D'ARYL-ETHANOLAMINE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2004022568A1

  公开（公告）日：2004-03-18

  The present invention provides a compound of formula as describedherein, which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种如下所述的化合物，该化合物可用作抗病毒剂，特别是用作抗疱疹病毒家族的药剂。
• [EN] HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DERIVES D'HETEROARYL-ETHANOLAMINE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2004022567A1

  公开（公告）日：2004-03-18

  The present invention provides a compound of formula (I), which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物(I)的公式，其作为抗病毒剂特别是抗疱疹病毒家族的药剂。
• Heteroaryl-ethanolamine derivatives as antiviral agents
  申请人：Schnute E. Mark

  公开号：US20050049245A1

  公开（公告）日：2005-03-03

  The present invention provides a compound of formula as described herein, which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种如下所述的化合物，它们可用作抗病毒剂，特别是用作针对疱疹家族病毒的药物。
• [EN] HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DERIVES D'ARYL-ETHANOLAMINE, AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2004106345A3

  公开（公告）日：2005-03-03