(R)-[4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-2-oxo-5(R)-(4-trifluoromethoxy-phenyl)-2,5-dihydro-1H-pyrrol-3-yloxy]phenyl-acetic acid methyl ester | 1260598-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: (R)-[4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-2-oxo-5(R)-(4-trifluoromethoxy-phenyl)-2,5-dihydro-1H-pyrrol-3-yloxy]phenyl-acetic acid methyl ester
• 英文别名: (R)-[4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-2-oxo-5(R)-(4-trifluoromethoxy-phenyl)-2,5-dihydro-1H-pyrrol-3-yloxy]-phenyl-acetic acid methyl ester；methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate
• CAS: 1260598-90-0
• 化学式: C₃₅H₃₀F₃N₃O₆
• 分子量: 645.635
• InChiKey: SIKPOJJGHJMESL-BVRKHOPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (R)-[4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-2-oxo-5(R)-(4-trifluoromethoxy-phenyl)-2,5-dihydro-1H-pyrrol-3-yloxy]phenyl-acetic acid methyl ester 以 二甲基亚砜 为溶剂， 生成 3-hydroxy-4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-5(R)-(4-trifluoromethoxy-phenyl)-1,5-dihydro-pyrrol-2-one
  参考文献：
  名称：

  1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE

  摘要：

  本发明涉及以下公式I的1-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂化物、互变异构体、同位素、对映异构体或其混合物：其药物组合物及其作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。

  公开号：

  US20120128630A1
• 作为产物：
  描述：

  3-hydroxy-4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-5-(4-trifluoromethoxy-phenyl)-1,5-dihydro-pyrrol-2-one 、 L-扁桃酸甲酯 生成 (R)-[4-(4-isopropyl-benzoyl)-1-(6-methyl-pyridazin-3-yl)-2-oxo-5(R)-(4-trifluoromethoxy-phenyl)-2,5-dihydro-1H-pyrrol-3-yloxy]phenyl-acetic acid methyl ester
  参考文献：
  名称：

  1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE

  摘要：

  本发明涉及以下公式I的1-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂化物、互变异构体、同位素、对映异构体或其混合物：其药物组合物及其作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。

  公开号：

  US20120128630A1

文献信息

• [EN] 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS 1-(AZO-HÉTÉROCYCLE À 6 CHAÎNONS)-PYRROLIN-2-ONE COMME INHIBITEURS DE POLYMÉRASE NS5B D'HÉPATITE C, LEUR COMPOSITION PHARMACEUTIQUE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：VIVALIS

  公开号：WO2011004017A1

  公开（公告）日：2011-01-13

  The present invention concerns a l-(6 members azo-heterocyclic)-pyrrolin-2-one compound of the following formula I or a salt, solvate, tautomer, isotope, enantiomer, diastereoisomer or racemic mixture thereof: the pharmaceutical composition thereof and their therapeutic use as inhibitors of Hepatitis C NS5B polymerase.

  本发明涉及以下式I的l-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂合物、互变异构体、同位素、对映体、非对映异构体或其外消旋混合物：以及其药物组合物及作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。
• 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE
  申请人：Vivalis

  公开号：EP2451800A1

  公开（公告）日：2012-05-16
• 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE
  申请人：Berecibar Amaya

  公开号：US20120128630A1

  公开（公告）日：2012-05-24

  The present invention concerns a 1-(6 members azo-heterocyclic)-pyrrolin-2-one compound of the following formula I or a salt, solvate, tautomer, isotope, enantiomer, diastereoisomer or racemic mixture thereof: the pharmaceutical composition thereof and their therapeutic use as inhibitors of Hepatitis C NS5B polymerase.

  本发明涉及以下公式I的1-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂化物、互变异构体、同位素、对映异构体或其混合物：其药物组合物及其作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。