2-thio-5-ethoxyuracil | 89532-88-7

• 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: 2-thio-5-ethoxyuracil
• 英文别名: 5-ethoxy-2-thiouracil；5-Ethoxy-2-mercaptopyrimidin-4-ol；5-ethoxy-2-sulfanylidene-1H-pyrimidin-4-one
• CAS: 89532-88-7
• 化学式: C₆H₈N₂O₂S
• 分子量: 172.208
• InChiKey: SIGCRWOAPDIJBH-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-thio-5-ethoxyuracil 在 amino sulphate 、 三氟甲磺酸三甲基硅酯 作用下， 以 乙腈 为溶剂， 反应 7.0h， 生成 1-(3-azido-5-O-tert-butyldiphenylsilyl-2,3-dideoxy-β-D-erythro-pentofuranosyl)-5-ethoxy-2-thiouracil
  参考文献：
  名称：

  New route for the synthesis of 2-thiouracil analogues of 3?-azido-2?,3?-dideoxy nucleosides

  摘要：

  Reaction of 3-azido-5-O-tert-butyldiphenylsilyl-2,3-dideoxy-D-erythro-pentofuranoside(5) with silylated 2-thiouracil and 5-alkoxy-2-thiouracils in the presence of trimethylsilyl trifluoromethanesulfonate afforded an anomeric mixture of the corresponding 3'-azido-2',3'-dideoxy-2-thiouridine derivatives with the alpha-anomer as the main product. Deprotected nucleosides were obtained by treatment with tetrabutylammonium fluoride.

  DOI：

  10.1007/bf00810948
• 作为产物：
  描述：

  2-乙氧基乙酸乙酯 、 甲酸乙酯 在 sodium 作用下， 生成 2-thio-5-ethoxyuracil
  参考文献：
  名称：

  New route for the synthesis of 2-thiouracil analogues of 3?-azido-2?,3?-dideoxy nucleosides

  摘要：

  Reaction of 3-azido-5-O-tert-butyldiphenylsilyl-2,3-dideoxy-D-erythro-pentofuranoside(5) with silylated 2-thiouracil and 5-alkoxy-2-thiouracils in the presence of trimethylsilyl trifluoromethanesulfonate afforded an anomeric mixture of the corresponding 3'-azido-2',3'-dideoxy-2-thiouridine derivatives with the alpha-anomer as the main product. Deprotected nucleosides were obtained by treatment with tetrabutylammonium fluoride.

  DOI：

  10.1007/bf00810948

文献信息

• Novel Compounds
  申请人：Hickey Deirdre Mary Bernadette

  公开号：US20090118313A1

  公开（公告）日：2009-05-07

  Pyrimidone compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in treating atherosclerosis.

  式(I)的吡啶酮化合物是Lp-PLA2酶的抑制剂，并可用于治疗动脉粥样硬化。
• 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS
  申请人：Leach Andrew Colin

  公开号：US20070155762A1

  公开（公告）日：2007-07-05

  Pyrimidone compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in treating atheroscelerosis.

  公式（I）的吡啶酮化合物是Lp-PLA2酶的抑制剂，可用于治疗动脉粥样硬化。
• NOVEL COMPOUNDS
  申请人：HICKEY Deirdre Mary Bernadette

  公开号：US20120172378A1

  公开（公告）日：2012-07-05

  Pyrimidone compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in treating atherosclerosis.

  公式（I）的嘧啶酮化合物是Lp-PLA2酶的抑制剂，可用于治疗动脉硬化。
• 5,6-Trimethylenepyrimidin-4-one compounds
  申请人：Hickey Deirdre Mary Bernadette

  公开号：US20090170877A1

  公开（公告）日：2009-07-02

  Pyrimidone compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in treating atherosclerosis.

  化合物公式为（I）的吡咯酮类化合物是Lp-PLA2酶的抑制剂，可用于治疗动脉粥样硬化。
• Pyrimidine-4-one derivatives as LDL-PLA2 inhibitors
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1686119A1

  公开（公告）日：2006-08-02

  Pyrimidinone compounds of formula (I) are inhibitors of the enzyme LpPLA2 and are useful in the treatment of atherosclerosis

  式 (I) 的嘧啶酮化合物是 LpPLA2 酶的抑制剂，可用于治疗动脉粥样硬化症