2-(R,S)-(4-Fluorobenzyl)-4-oxo-4-(1H-pyrrol-2-yl)-butyric acid | 368211-48-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-(R,S)-(4-Fluorobenzyl)-4-oxo-4-(1H-pyrrol-2-yl)-butyric acid
• 英文别名: 2-[(4-fluorophenyl)methyl]-4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
• CAS: 368211-48-7
• 化学式: C₁₅H₁₄FNO₃
• 分子量: 275.279
• InChiKey: BQVIFMVDCPVTLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

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

  公开号：US20020006943A1

  公开（公告）日：2002-01-17

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

  公式为：1的化合物，在公开披露中定义的公式变量的情况下，有利地抑制或阻断了皮科玛病毒3C蛋白酶的生物活性。这些化合物以及含有这些化合物的药物组合物，可用于治疗感染一种或多种皮科玛病毒（如RVP）的患者或宿主。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：EP1274682A2

  公开（公告）日：2003-01-15
• US6610730B2
  申请人：——

  公开号：US6610730B2

  公开（公告）日：2003-08-26
• US6872745B2
  申请人：——

  公开号：US6872745B2

  公开（公告）日：2005-03-29
• [EN] ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS<br/>[FR] COMPOSES ET COMPOSITIONS ANTIPICORNAVIRALES, LEURS UTILISATIONS PHARMACEUTIQUES ET MATERIAUX POUR LEUR SYNTHESE
  申请人：AGOURON PHARMA

  公开号：WO2001079167A2

  公开（公告）日：2001-10-25

  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.