3-羟基-1-甲基喹唑啉-2,4-二酮 | 37833-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-羟基-1-甲基喹唑啉-2,4-二酮
• 英文名称: 1-Methyl-3-hydroxy-2,4-(1H,3H)-chinazolindion
• 英文别名: 1-Methyl-3-hydroxychinazolin-2,4(1H,3H)-dion；3-hydroxy-1-methyl-1H-quinazoline-2,4-dione；3-Hydroxy-1-methylquinazoline-2,4(1H,3H)-dione；3-hydroxy-1-methylquinazoline-2,4-dione
• CAS: 37833-99-1
• 化学式: C₉H₈N₂O₃
• 分子量: 192.174
• InChiKey: QCGCUWDHBCFTMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  邻氨基苯甲酸 在 potassium carbonate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-羟基-1-甲基喹唑啉-2,4-二酮
  参考文献：
  名称：

  N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1–XPF

  摘要：

  A high throughput screen allowed the identification of N-hydroxyimide inhibitors of ERCC1-XPF endonuclease activity with micromolar potency, but they showed undesirable selectivity profiles against FEN-1. A scaffold hop to a hydroxypyrimidinone template gave compounds with similar potency but allowed selectivity to be switched in favour of ERCC1-XPF over FEN-1. Further exploration of the structure-activity relationships around this chemotype gave sub-micromolar inhibitors with >10-fold selectivity for ERCC1-XPF over FEN-1. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.024

文献信息

• N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1–XPF
  作者：Timothy M. Chapman、Claire Wallace、Kevin J. Gillen、Preeti Bakrania、Puneet Khurana、Peter J. Coombs、Simon Fox、Emilie A. Bureau、Janet Brownlees、David W. Melton、Barbara Saxty

  DOI：10.1016/j.bmcl.2015.08.024

  日期：2015.10

  A high throughput screen allowed the identification of N-hydroxyimide inhibitors of ERCC1-XPF endonuclease activity with micromolar potency, but they showed undesirable selectivity profiles against FEN-1. A scaffold hop to a hydroxypyrimidinone template gave compounds with similar potency but allowed selectivity to be switched in favour of ERCC1-XPF over FEN-1. Further exploration of the structure-activity relationships around this chemotype gave sub-micromolar inhibitors with >10-fold selectivity for ERCC1-XPF over FEN-1. (C) 2015 Elsevier Ltd. All rights reserved.