4-Amino-8-(2-hydroxyethyl)-2-propan-2-yloxypyrido[2,3-d]pyrimidin-5-one | 1383615-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 4-Amino-8-(2-hydroxyethyl)-2-propan-2-yloxypyrido[2,3-d]pyrimidin-5-one
• CAS: 1383615-18-6
• 化学式: C₁₂H₁₆N₄O₃
• 分子量: 264.284
• InChiKey: UKIIPKBBYUIOOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 potassium tert-butylate 、 间氯过氧苯甲酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Amino-8-(2-hydroxyethyl)-2-propan-2-yloxypyrido[2,3-d]pyrimidin-5-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of potent NAD+-dependent DNA ligase inhibitors as potential antibacterial agents. Part 2: 4-Amino-pyrido[2,3-d]pyrimidin-5(8H)-ones

  摘要：

  A series of 4-amino-pyrido[2,3-d]pyrimidin-5(8H)-ones were designed and synthesized as a novel class of inhibitors of NAD(+)-dependent DNA ligase that possess potency against Gram-positive bacteria. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.038

文献信息

• Design, synthesis and biological evaluation of potent NAD+-dependent DNA ligase inhibitors as potential antibacterial agents. Part 2: 4-Amino-pyrido[2,3-d]pyrimidin-5(8H)-ones
  作者：Tiansheng Wang、Leonard Duncan、Wenxin Gu、Hardwin O’Dowd、Yunyi Wei、Emanuele Perola、Jonathan Parsons、Christian H. Gross、Cameron Stuver Moody、S.J. Ryan Arends、Paul S. Charifson

  DOI：10.1016/j.bmcl.2012.04.038

  日期：2012.6

  A series of 4-amino-pyrido[2,3-d]pyrimidin-5(8H)-ones were designed and synthesized as a novel class of inhibitors of NAD(+)-dependent DNA ligase that possess potency against Gram-positive bacteria. (C) 2012 Elsevier Ltd. All rights reserved.