2-[2-Amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol | 950486-92-7

• 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: 2-[2-Amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
• 英文别名: 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
• CAS: 950486-92-7
• 化学式: C₁₆H₁₄N₄O
• 分子量: 278.313
• InChiKey: RKEAKNODGOCPKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]carbamate 以80%的产率得到2-[2-Amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2,4,5-substituted pyrimidine derivatives for anticancer activity

  摘要：

  A series of novel 2,4,5-substituted pyrimidine derivatives were synthesized and evaluated for inhibition against the human hepatocellular carcinoma BEL-7402 cancer cell line. Several compounds showed potent inhibition with an IC50 value less than 0.10 mu M. Structure-activity relationships for this class of compounds at the 2- and 5-position of the pyrimidine scaffold have been elucidated. The most active compound 7gc showed good inhibition of several different human cancer cell lines with IC50 values from 0.024 to 0.55 mu M. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.067

文献信息

• Synthesis and biological evaluation of novel 2,4,5-substituted pyrimidine derivatives for anticancer activity
  作者：Fuchun Xie、Hongbing Zhao、Lizhi Zhao、Liguang Lou、Youhong Hu

  DOI：10.1016/j.bmcl.2008.09.067

  日期：2009.1

  A series of novel 2,4,5-substituted pyrimidine derivatives were synthesized and evaluated for inhibition against the human hepatocellular carcinoma BEL-7402 cancer cell line. Several compounds showed potent inhibition with an IC50 value less than 0.10 mu M. Structure-activity relationships for this class of compounds at the 2- and 5-position of the pyrimidine scaffold have been elucidated. The most active compound 7gc showed good inhibition of several different human cancer cell lines with IC50 values from 0.024 to 0.55 mu M. (C) 2008 Elsevier Ltd. All rights reserved.