4-[4-(4-甲基哌嗪-1-基)-6-噻吩-2-基嘧啶-2-基]苯胺 | 832076-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-[4-(4-甲基哌嗪-1-基)-6-噻吩-2-基嘧啶-2-基]苯胺
• 英文名称: 4-(4-(4-Methylpiperazin-1-yl)-6-(thiophen-2-yl)pyrimidin-2-yl)aniline
• 英文别名: 4-[4-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidin-2-yl]aniline
• CAS: 832076-05-8
• 化学式: C₁₉H₂₁N₅S
• 分子量: 351.475
• InChiKey: XWHLVQKSQOTNKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-aminobenzamidine dihydrochloride 在 sodium hydride 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[4-(4-甲基哌嗪-1-基)-6-噻吩-2-基嘧啶-2-基]苯胺
  参考文献：
  名称：

  Syntheses of 2,4,6-trisubstituted pyrimidine derivatives as a new class of antifilarial topoisomerase II inhibitors

  摘要：

  A series of 21 compounds of trisubstituted pyrimidine derivatives have been synthesized and evaluated for their in vitro topoisomerase 11 inhibitory activity against filarial parasite Setaria cervi. Out of these, seven compounds (8, 11-14, 25 and 28) have shown 60-80% inhibition at 40 and 20 mug/mL concentration. Five compounds (12, 13, 14, 25 and 28) exhibited 70-80% inhibition at 10 mug/mL concentration and three compounds (13, 14 and 28) have shown 40-60% inhibition at 5 mug/mL concentration. All the above mentioned compounds have shown better topo 11 inhibitory activity than standard antifilarial drug (DEC) and enzyme topo 11 inhibitors (Novobiocin, Nalidixic acid). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.046

文献信息

• Syntheses of 2,4,6-trisubstituted pyrimidine derivatives as a new class of antifilarial topoisomerase II inhibitors
  作者：Sanjay Babu Katiyar、Iti Bansal、J.K. Saxena、P.M.S. Chauhan

  DOI：10.1016/j.bmcl.2004.10.046

  日期：2005.1

  A series of 21 compounds of trisubstituted pyrimidine derivatives have been synthesized and evaluated for their in vitro topoisomerase 11 inhibitory activity against filarial parasite Setaria cervi. Out of these, seven compounds (8, 11-14, 25 and 28) have shown 60-80% inhibition at 40 and 20 mug/mL concentration. Five compounds (12, 13, 14, 25 and 28) exhibited 70-80% inhibition at 10 mug/mL concentration and three compounds (13, 14 and 28) have shown 40-60% inhibition at 5 mug/mL concentration. All the above mentioned compounds have shown better topo 11 inhibitory activity than standard antifilarial drug (DEC) and enzyme topo 11 inhibitors (Novobiocin, Nalidixic acid). (C) 2004 Elsevier Ltd. All rights reserved.