7-Benzyl-2-chloro-8-(4-cyclohexyl-phenyl)-1-methyl-1,7-dihydro-purin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-Benzyl-2-chloro-8-(4-cyclohexyl-phenyl)-1-methyl-1,7-dihydro-purin-6-one
• 英文别名: 7-Benzyl-2-chloro-8-(4-cyclohexylphenyl)-1-methylpurin-6-one；7-benzyl-2-chloro-8-(4-cyclohexylphenyl)-1-methylpurin-6-one
• 化学式: C₂₅H₂₅ClN₄O
• 分子量: 432.953
• InChiKey: GVAPOFMHVDBXKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-氨基环戊-3-烯-1-基)甲醇 、 7-Benzyl-2-chloro-8-(4-cyclohexyl-phenyl)-1-methyl-1,7-dihydro-purin-6-one 在 N-甲基吡咯烷酮 、 N,N-二异丙基乙胺 作用下， 以50%的产率得到
  参考文献：
  名称：

  The Gif system as a tool in medicinal chemistry: The oxidation of Sch 57726 under GoAggIII conditions

  摘要：

  The usefulness of the GoAgg(III) reaction protocol in the determination of potential products of CP-450 enzyme metabolism is explored on Sch 57726, a selective c-GMP phosphodiesterase inhibitor. A single major ketone is found as product. In contrast, the reaction with m-CPBA affords a product of oxidative ring cleavage. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00238-2

文献信息

• SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS
  申请人：Advinus Therapeutics Private Limited

  公开号：EP2405917B1

  公开（公告）日：2014-04-23
• The Gif system as a tool in medicinal chemistry: The oxidation of Sch 57726 under GoAggIII conditions
  作者：Darío Doller、Samuel Chackalamannil、Andrew Stamford、Brian McKittrick、Michael Czarniecki

  DOI：10.1016/s0960-894x(97)00238-2

  日期：1997.6

  The usefulness of the GoAgg(III) reaction protocol in the determination of potential products of CP-450 enzyme metabolism is explored on Sch 57726, a selective c-GMP phosphodiesterase inhibitor. A single major ketone is found as product. In contrast, the reaction with m-CPBA affords a product of oxidative ring cleavage. (C) 1997 Elsevier Science Ltd.