2,4-Dioxo-4-(3-phenoxyphenyl)butanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-Dioxo-4-(3-phenoxyphenyl)butanoic acid
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: RSLTYLKWAOZHJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-苯氧基苯乙酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 生成 2,4-Dioxo-4-(3-phenoxyphenyl)butanoic acid
  参考文献：
  名称：

  The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors

  摘要：

  There have been several recent reports of chemopotentiation via inhibition of DNA repair processes. Flap endonuclease 1 (FEN1) is a key enzyme involved in base excision repair (BER), a primary pathway utilized by mammalian cells to repair DNA damage. In this report, we describe the identification and SAR of a series of 2,4-diketobutyric acid FENI inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.028

文献信息

• The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors
  作者：L. Nathan Tumey、Bayard Huck、Elizabeth Gleason、Jianmin Wang、Daniel Silver、Kurt Brunden、Sherry Boozer、Stephen Rundlett、Bruce Sherf、Steven Murphy、Andrew Bailey、Tom Dent、Christina Leventhal、John Harrington、Youssef L. Bennani

  DOI：10.1016/j.bmcl.2004.07.028

  日期：2004.10

  There have been several recent reports of chemopotentiation via inhibition of DNA repair processes. Flap endonuclease 1 (FEN1) is a key enzyme involved in base excision repair (BER), a primary pathway utilized by mammalian cells to repair DNA damage. In this report, we describe the identification and SAR of a series of 2,4-diketobutyric acid FENI inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.