6-[(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)methoxymethyl]-4-oxo-1H-quinoline-3-carboxylic acid | 1020068-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-[(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)methoxymethyl]-4-oxo-1H-quinoline-3-carboxylic acid
• 英文别名: 6-[(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methoxymethyl]-4-oxo-1H-quinoline-3-carboxylic acid
• CAS: 1020068-87-4
• 化学式: C₂₆H₂₅N₃O₆
• 分子量: 475.501
• InChiKey: AABRTVJAYOVGQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以89%的产率得到6-[(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)methoxymethyl]-4-oxo-1H-quinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of pyrimidine and quinolone conjugates as a scaffold for dual inhibitors of HIV reverse transcriptase and integrase

  摘要：

  A series of conjugates combining a pyrimidine and a quinolone moiety were designed and synthesized. The assay results show that these compounds demonstrate both anti-RT activity and anti-IN activity and therefore provide a useful scaffold for identifying inhibitors with balanced dual activities. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.01.025

文献信息

• Synthesis of pyrimidine and quinolone conjugates as a scaffold for dual inhibitors of HIV reverse transcriptase and integrase
  作者：Zhengqiang Wang、Robert Vince

  DOI：10.1016/j.bmcl.2008.01.025

  日期：2008.2

  A series of conjugates combining a pyrimidine and a quinolone moiety were designed and synthesized. The assay results show that these compounds demonstrate both anti-RT activity and anti-IN activity and therefore provide a useful scaffold for identifying inhibitors with balanced dual activities. Published by Elsevier Ltd.