6-amino-5-phenyl-2-sulfanyl-1H-pyrimidin-4-one | 59349-35-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-amino-5-phenyl-2-sulfanyl-1H-pyrimidin-4-one
• CAS: 59349-35-8
• 化学式: C₁₀H₉N₃OS
• mdl: MFCD24388735
• 分子量: 219.267
• InChiKey: ZPQQTPVHDQLMHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苄硫醇 、 6-amino-5-phenyl-2-sulfanyl-1H-pyrimidin-4-one 在 potassium tert-butylate 作用下， 以 叔丁醇 、 四氢呋喃 为溶剂， 反应 0.83h， 生成 2-(benzylthio)-7-tert-butylimidazo[1,2-a]pyrimidin-5(1H)-one
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Substituted 2-(Benzylthio)imidazo[1,2a]pyrimidin-5-ones

  摘要：

  A microwave-assisted solid-phase synthesis of 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones has been developed. Using microwave irradiation, the reaction time was significantly reduced from a few days to 80 min. A representative set of 10 2-(benzylthio)-6.7-substituted-imidazo[1,2a]pyrimidin-5-ones was prepared. These compounds Were subsequently N-alkylated and formylated in good yields.

  DOI：

  10.1021/cc900176x
• 作为产物：
  描述：

  2-phenyl-malonamic acid ethyl ester 、 硫脲 在 sodium ethanolate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 6-amino-5-phenyl-2-sulfanyl-1H-pyrimidin-4-one
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Substituted 2-(Benzylthio)imidazo[1,2a]pyrimidin-5-ones

  摘要：

  A microwave-assisted solid-phase synthesis of 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones has been developed. Using microwave irradiation, the reaction time was significantly reduced from a few days to 80 min. A representative set of 10 2-(benzylthio)-6.7-substituted-imidazo[1,2a]pyrimidin-5-ones was prepared. These compounds Were subsequently N-alkylated and formylated in good yields.

  DOI：

  10.1021/cc900176x

文献信息

• HIRAYAMA T.; KAMADA M.; TSURUMI H.; MIMURA M., CHEM. AND PHARM. BULL. <CPBT-AL>, 1976, 24, NO 1, 26-35
  作者：HIRAYAMA T.、 KAMADA M.、 TSURUMI H.、 MIMURA M.

  DOI：——

  日期：——
• COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER
  申请人：TOMKINSON Alan E.

  公开号：US20100099683A1

  公开（公告）日：2010-04-22

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
• Compounds that inhibit human DNA ligases and methods of treating cancer
  申请人：University of Maryland, Baltimore

  公开号：US20140113891A1

  公开（公告）日：2014-04-24

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
• US8445537B2
  申请人：——

  公开号：US8445537B2

  公开（公告）日：2013-05-21
• US9073896B2
  申请人：——

  公开号：US9073896B2

  公开（公告）日：2015-07-07