3-[2,6-Diamino-5-(4-amino-phenyl)-pyrimidin-4-yl]-propionic acid ethyl ester | 885041-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-[2,6-Diamino-5-(4-amino-phenyl)-pyrimidin-4-yl]-propionic acid ethyl ester
• CAS: 885041-02-1
• 化学式: C₁₅H₁₉N₅O₂
• 分子量: 301.348
• InChiKey: GNFICDPUXQXSHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  130.14
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-[2,6-Diamino-5-(4-amino-phenyl)-pyrimidin-4-yl]-propionic acid ethyl ester 在 lithium hydroxide 、 sodium acetate 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Optimization of 2,4-diaminopyrimidines as GHS-R antagonists: Side chain exploration

  摘要：

  The synthesis and structure-activity relationships of the 4- and 6-substituents of 2,4-diaminopyrimidine-based growth hormone secretagogue receptor (GHS-R) antagonists are described. Diaminopyrimidines with 6-norbornenyl (4n) and 6-tetrahydrofuranyl (4p) substitutents were found to exhibit potent GHS-R antagonism and good selectivity (similar to 1000-fold) against dihydrofolate reductase. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.012
• 作为产物：
  描述：

  3-[2,6-Diamino-5-(4-nitro-phenyl)-pyrimidin-4-yl]-propionic acid ethyl ester 在 palladium dihydroxide 氢气 作用下， 以 甲醇 为溶剂， 以95%的产率得到3-[2,6-Diamino-5-(4-amino-phenyl)-pyrimidin-4-yl]-propionic acid ethyl ester
  参考文献：
  名称：

  Optimization of 2,4-diaminopyrimidines as GHS-R antagonists: Side chain exploration

  摘要：

  The synthesis and structure-activity relationships of the 4- and 6-substituents of 2,4-diaminopyrimidine-based growth hormone secretagogue receptor (GHS-R) antagonists are described. Diaminopyrimidines with 6-norbornenyl (4n) and 6-tetrahydrofuranyl (4p) substitutents were found to exhibit potent GHS-R antagonism and good selectivity (similar to 1000-fold) against dihydrofolate reductase. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.012