methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate
• 英文别名: methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrrolo[3,4-d]pyrimidin-5-yl]sulfanylbutanoate
• 化学式: C₂₇H₃₁N₃O₄S
• 分子量: 493.627
• InChiKey: HLBHHRWDKUQESF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  97.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate 、 盐酸 在 乙酸乙酯 、 Brine 、 magnesium sulfate 、 silica 、 methanol-dichloromethane 、 甲苯 、 氯仿 、 ethyl acetate n-hexane 作用下， 以 tetrahydrofuran methanol 为溶剂， 反应 1.5h， 以to yield 129 mg of the title compound的产率得到4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoic acid
  参考文献：
  名称：

  Pyrrolo[3,4-D] pyrimidinone derivatives and their use as medicaments

  摘要：

  该发明提供了某些新型5-取代吡咯并[3,4-d]嘧啶-2,4-二酮，其制备方法，包含它们的制药组合物，制备制药组合物的方法以及涉及其使用的治疗方法。

  公开号：

  US06046204A1

文献信息

• Pyrrolo[3,4-d]pyrimidinone derivatives and their use as medicaments
  申请人：AstraZeneca AB.

  公开号：US20020025966A1

  公开（公告）日：2002-02-28

  The invention provides certain novel 5-substituted pyrrolo[3,4-d]pyrimidine-2,4-diones, processes for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and methods of treatment involving their use.

  本发明提供了一些新颖的5-取代吡咯并[3,4-d]嘧啶-2,4-二酮，其制备方法，包含它们的制药组合物，制备制药组合物的方法以及使用它们进行治疗的方法。
• Pyrrolo[3,4-d]pyrimidinone derivatives and their use as medicaments
  申请人：AstraZeneca UK Limited

  公开号：US06229013B1

  公开（公告）日：2001-05-08

  The invention provides certain novel 5-substituted pyrrolo[3,4-d]pyrimidine-2,4-diones, processes for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and methods of treatment involving their use.

  本发明提供了某些新型的5-取代吡咯并[3,4-d]嘧啶-2,4-二酮，以及它们的制备方法、包含它们的制药组合物、制备该制药组合物的方法以及涉及其使用的治疗方法。
• Pyrrolo[3,4-D] pyrimidinone derivatives and their use as medicaments
  申请人：Astra Pharmaceuticals Limited

  公开号：US06046204A1

  公开（公告）日：2000-04-04

  The invention provides certain novel 5-substituted pyrrolo[3,4-d]pyrimidine-2,4-diones, processes for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and methods of treatment involving their use.

  该发明提供了某些新型5-取代吡咯并[3,4-d]嘧啶-2,4-二酮，其制备方法，包含它们的制药组合物，制备制药组合物的方法以及涉及其使用的治疗方法。
• Pyrrolo[3,4-D]Pyrimidinone derivatives and their use as medicaments
  申请人：AstraZeneca UK Limited

  公开号：US06166206A1

  公开（公告）日：2000-12-26

  The invention provides certain novel 5-substituted pyrrolo[3,4-d]pyrimidine-2,4-diones, processes for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and methods of treatment involving their use.

  本发明提供了某些新型5-取代吡咯并[3,4-d]嘧啶-2,4-二酮，其制备方法，包含它们的制药组合物，制备该制药组合物的方法以及涉及使用它们的治疗方法。
• PYRROLO 3,4-$i(D)]PYRIMIDINONE DERIVATIVES AND THEIR USE AS MEDICAMENTS
  申请人：Astra Pharmaceuticals Limited

  公开号：EP0946562A1

  公开（公告）日：1999-10-06