ethyl (E,4S)-4-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

• 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: ethyl (E,4S)-4-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
• 化学式: C₂₀H₂₄N₂O₅
• 分子量: 372.4
• InChiKey: DASZOTROGRETCQ-VPQFUQEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis
  申请人：——

  公开号：US20020061916A1

  公开（公告）日：2002-05-23

  Compounds of the formula: 1 where the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also described.

  公式为1的化合物，其中公式变量如披露所定义，有利地抑制或阻断了小肠病毒3C蛋白酶的生物活性。这些化合物以及含有这些化合物的制药组合物，对于治疗感染了一个或多个小肠病毒（如RVP）的患者或宿主是有用的。还描述了制备这些化合物的中间体和合成方法。
• ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1355878A2

  公开（公告）日：2003-10-29
• US6632825B2
  申请人：——

  公开号：US6632825B2

  公开（公告）日：2003-10-14
• US6989384B2
  申请人：——

  公开号：US6989384B2

  公开（公告）日：2006-01-24
• [EN] ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS<br/>[FR] COMPOSES ET COMPOSITIONS ANTIPICORNAVIRAUX, LEURS APPLICATIONS PHARMACEUTIQUES ET MATIERES UTILES A LA SYNTHESE DE CEUX-CI
  申请人：AGOURON PHARMA

  公开号：WO2001096297A2

  公开（公告）日：2001-12-20

  Compounds of the formula (I), where the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also described.