| 1522207-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1522207-19-7
• 化学式: C₁₄H₁₃ClN₆
• 分子量: 300.75
• InChiKey: ZRLRKUWDSLIJEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  68.52
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (2R)-2-(甲氧基甲基)吡咯烷盐酸盐 、 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
  参考文献：
  名称：

  Replacement of amide with bioisosteres led to a new series of potent adenosine A2A receptor antagonists

  摘要：

  We have previously reported a series of 2,4,6-trisubstituted pyrimidines as potent A(2A) receptor antagonists. The leading compounds often feature a potentially labile acetamide functional group which tends to hydrolyze under acidic conditions. Here we report the replacement of the acetamide functional group with bioisosteres. This effort led us to a new series of adenosine A(2A) receptor antagonists with improved potency and chemical stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.051
• 作为产物：
  描述：

  2-氨基吡啶 在 Oxone 、 sodium hexamethyldisilazane 、 sodium hydride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 28.0h， 生成
  参考文献：
  名称：

  Replacement of amide with bioisosteres led to a new series of potent adenosine A2A receptor antagonists

  摘要：

  We have previously reported a series of 2,4,6-trisubstituted pyrimidines as potent A(2A) receptor antagonists. The leading compounds often feature a potentially labile acetamide functional group which tends to hydrolyze under acidic conditions. Here we report the replacement of the acetamide functional group with bioisosteres. This effort led us to a new series of adenosine A(2A) receptor antagonists with improved potency and chemical stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.051