N-(4-chlorobenzyl)-2-((((2R)-2-(2-furyl)-2-hydroxyethyl)(methyl)amino)methyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide | 804511-81-7

• 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-((((2R)-2-(2-furyl)-2-hydroxyethyl)(methyl)amino)methyl)-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-chlorophenyl)methyl]-2-[[[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-methylamino]methyl]-7-[2-(oxan-2-yloxy)ethyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
• CAS: 804511-81-7
• 化学式: C₃₀H₃₄ClN₃O₆S
• 分子量: 600.135
• InChiKey: NFUOISATOYAIHP-CSMDKSQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-(4-chlorobenzyl)-2-((((2R)-2-(2-furyl)-2-hydroxyethyl)(methyl)amino)methyl)-4-oxo-7-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide 在 高氯酸 作用下， 以 四氢呋喃 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：

  (5R)-3-methyl-5-(2-furyl)-2-oxazolidinone 在 氢氧化钾 、 cesium carbonate 、 水 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 17.0h， 生成 N-(4-chlorobenzyl)-2-((((2R)-2-(2-furyl)-2-hydroxyethyl)(methyl)amino)methyl)-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：

  [EN] HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS
  [FR] DERIVES D'ARYL-ETHANOLAMINE, AGENTS ANTIVIRAUX

  摘要：

  公开号：

  WO2004106345A3

文献信息

• 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
• 2-Aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridines as broad-spectrum inhibitors of human herpesvirus polymerases
  作者：Mark E. Schnute、David J. Anderson、Roger J. Brideau、Fred L. Ciske、Sarah A. Collier、Michele M. Cudahy、MariJean Eggen、Michael J. Genin、Todd A. Hopkins、Thomas M. Judge、Euibong J. Kim、Mary L. Knechtel、Sajiv K. Nair、James A. Nieman、Nancee L. Oien、Allen Scott、Steven P. Tanis、Valerie A. Vaillancourt、Michael W. Wathen、Janet L. Wieber

  DOI：10.1016/j.bmcl.2007.03.102

  日期：2007.6

  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.