(3S,4S)-1-{3-[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]-4-hydroxyphenyl}-3,4-pyrrolidinediol | 1318802-78-6

• 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: (3S,4S)-1-{3-[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]-4-hydroxyphenyl}-3,4-pyrrolidinediol
• 英文别名: (3S,4S)-1-[3-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]pyrrolidine-3,4-diol
• CAS: 1318802-78-6
• 化学式: C₁₈H₂₃N₅O₄
• 分子量: 373.412
• InChiKey: ACXOEEATUCCUJW-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  对乙酰氨基酚 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 正丁基锂 、 硼酸三甲酯 、 水 、 氢溴酸 、 溴 、 potassium carbonate 、 溶剂黄146 、 三乙胺 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 生成 (3S,4S)-1-{3-[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]-4-hydroxyphenyl}-3,4-pyrrolidinediol
  参考文献：
  名称：

  Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors

  摘要：

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.081

文献信息

• Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors
  作者：Jinho Lee、Kyoung-Hee Kim、Shinwu Jeong

  DOI：10.1016/j.bmcl.2011.05.081

  日期：2011.7

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.