2-(N'-benzoylthioureido)-3-ethoxycarbonyl-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran | 314042-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡喃类
• 英文名称: 2-(N'-benzoylthioureido)-3-ethoxycarbonyl-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran
• 英文别名: 2-(N'-benzoylthioureido)-3-carbethoxy-5,5-dimethyl-4,5-dihydro-7H-thieno[2,3-c]pyran；Ethyl 2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
• CAS: 314042-00-7
• 化学式: C₂₀H₂₂N₂O₄S₂
• mdl: MFCD00357630
• 分子量: 418.538
• InChiKey: JDASTVRHVYWPRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(N'-benzoylthioureido)-3-ethoxycarbonyl-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran 在 氢氧化钾 、 一水合肼 作用下， 以 乙醇 、 正丁醇 为溶剂， 反应 18.0h， 生成 7,7-dimethyl-6,7-dihydro-9H-pyrano[4',3':4,5]thieno[3,2-e]triazolo[3,4-b]pyrimidin-5-one
  参考文献：
  名称：

  Condensed Thienopyrimidines. 19. Study of the Heterocyclization of 2-Hydrazino-6,6-dimethyl-5,6-dihydro-8H-pyranothieno[2,3-d]pyrimidin-4-one

  摘要：

  DOI：

  10.1023/b:cohc.0000023772.87295.a9
• 作为产物：
  描述：

  2-amino-3-carbethoxy-5,5-dimethyl-4,5-dihydro-7H-thieno[2,3-c]pyran 、 苯甲酰基异硫氰酸酯 以 甲醇 为溶剂， 反应 3.0h， 以90%的产率得到2-(N'-benzoylthioureido)-3-ethoxycarbonyl-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran
  参考文献：
  名称：

  Condensed Thienopyrimidines. 19. Study of the Heterocyclization of 2-Hydrazino-6,6-dimethyl-5,6-dihydro-8H-pyranothieno[2,3-d]pyrimidin-4-one

  摘要：

  DOI：

  10.1023/b:cohc.0000023772.87295.a9

文献信息

• ——
  作者：A. Sh. Oganisyan、A. S. Noravyan、I. A. Dzhagatspanyan、A. G. Akopyan

  DOI：10.1023/a:1010445510155

  日期：——
• Pharmaceutical Compositions For and Methods of Inhibiting Hcv
  申请人：Huang Mingjun

  公开号：US20080207760A1

  公开（公告）日：2008-08-28

  The present invention relates generally to replicase complex defect inducers and pharmaceutical compositions containing such inducers. Methods of developing mutants that are resistant to replicase complex defect inducers are also provided. Further included are mutants that can be used in screening for replicase complex defect inducers. Methods of screening test compounds for the ability to induce the formation of replicase complex defects are also described. Also included are methods of inhibition of HCV replication by replicase complex defect inducers.
• Condensed Thienopyrimidines. 19. Study of the Heterocyclization of 2-Hydrazino-6,6-dimethyl-5,6-dihydro-8H-pyranothieno[2,3-d]pyrimidin-4-one
  作者：A. Sh. Oganisyan、A. S. Noravyan、A. A. Karapetyan、M. S. Aleksanyan、Yu. T. Struchkov

  DOI：10.1023/b:cohc.0000023772.87295.a9

  日期：2004.1