(Z)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-phenyl-3-phenylsulfanyl-acrylamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (Z)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-phenyl-3-phenylsulfanyl-acrylamide
• 英文别名: (Z)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-phenyl-3-phenylsulfanylprop-2-enamide
• 化学式: C₂₄H₂₀N₂O₃S₂
• 分子量: 448.566
• InChiKey: TWRQBRVURSKLQV-UEIJICEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Z-3-phenylthio-3-phenylpropenoic acid 、 2-((S)-1-Amino-ethyl)-5-methyl-thieno[2,3-d][1,3]oxazin-4-one; compound with trifluoro-acetic acid 在 乙胺嗪 、 N,N-二异丙基乙胺 作用下， 生成 (Z)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-phenyl-3-phenylsulfanyl-acrylamide
  参考文献：
  名称：

  Inhibition of herpes proteases and antiviral activity of 2-substituted thieno[2,3-d]oxazinones

  摘要：

  Cinnamyl derivatives of thieno[2,3-d]oxazinones are mechanism-based inhibitors of the HSV-2, VZV and CMV herpes proteases which demonstrate nanomolar potency. Compounds 5 and 28 inhibit protease processing in HSV-2 infected cells with a selectivity index of at least 30. (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(99)00004-9

文献信息

• Inhibition of herpes proteases and antiviral activity of 2-substituted thieno[2,3-d]oxazinones
  作者：Richard L. Jarvest、Ivan L. Pinto、Stephen M. Ashman、Christine E. Dabrowski、Annabellee V. Fernandez、L.John Jennings、Patrick Lavery、David G. Tew

  DOI：10.1016/s0960-894x(99)00004-9

  日期：1999.2

  Cinnamyl derivatives of thieno[2,3-d]oxazinones are mechanism-based inhibitors of the HSV-2, VZV and CMV herpes proteases which demonstrate nanomolar potency. Compounds 5 and 28 inhibit protease processing in HSV-2 infected cells with a selectivity index of at least 30. (C) 1999 Elsevier Science Ltd. Ail rights reserved.