(3-Methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (3-Methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: YFSMLTPXGKDUPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间甲氧基苯甲酰氯 、 1-(3-甲氧基苯基)哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3-Methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
  参考文献：
  名称：

  Addressing cytotoxicity of 1,4-biphenyl amide derivatives: Discovery of new potent and selective 17β-hydroxysteroid dehydrogenase type 2 inhibitors

  摘要：

  Four different classes of new 17 beta-hydroxysteroid dehydrogenase type 2 (17 beta-HSD2) inhibitors were synthesized, in order to lower the cytotoxicity exhibited by the lead compound A, via disrupting the linearity and the aromaticity of the biphenyl moiety. Compounds 3, 4, 7a and 8 displayed comparable or better inhibitory activity and selectivity, as well as a lower cytotoxic effect, compared to the reference compound A. The best compound 4 (IC50 = 160 nM, selectivity factor = 168, LD50 approximate to 25 mu M) turned out as new lead compound for inhibition of 17 beta-HSD2. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.11.047