| 903895-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 903895-87-4
• 化学式: C₁₁H₁₄N₄O
• 分子量: 218.258
• InChiKey: HOUKNBFNICDFGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.71
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 硝酸 、 三氟乙酸 作用下， 反应 0.5h， 生成 5-Isopropyl-1-methyl-4-nitro-2-pyrimidin-5-yl-1,2-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents

  摘要：

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.068
• 作为产物：
  描述：

  5-溴嘧啶 、 1-甲基-5-(1-甲基乙基)-1H-吡唑-3-醇 在 copper(l) iodide 、 1,10-菲罗啉 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 48.0h， 以28%的产率得到
  参考文献：
  名称：

  Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents

  摘要：

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.068