(E)-3-[4-(dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-3-[4-(dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
• 化学式: C₂₂H₂₁NO₂
• 分子量: 331.414
• InChiKey: SWEQPCSYEPPDGB-AWNIVKPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-甲氧基-2-乙酰萘 、 对二甲氨基苯甲醛 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (E)-3-[4-(dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and screening of a combinatorial library of naphthalene substituted chalcones: inhibitors of leukotriene B41NCL Communication No. 6453.1

  摘要：

  A combinatorial mini library of naphthalene substituted chalcones has been prepared by solution phase chemistry. Screening of these mixtures for leukotriene Bq inhibitory activity using human whole blood assay (HWBL) afforded a lead compound, 1-(6-butoxy-2-naphthyl)-3-(4-nitrophenyl)-prop-2-en-1-one (K(4)A(3)) with an IC50 value of 18.5 mu M. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00047-4

文献信息

• Synthesis and screening of a combinatorial library of naphthalene substituted chalcones: inhibitors of leukotriene B41NCL Communication No. 6453.1
  作者：Anil M. Deshpande、Narshinha P. Argade、Arvind A. Natu、Joseph Eckman

  DOI：10.1016/s0968-0896(99)00047-4

  日期：1999.6

  A combinatorial mini library of naphthalene substituted chalcones has been prepared by solution phase chemistry. Screening of these mixtures for leukotriene Bq inhibitory activity using human whole blood assay (HWBL) afforded a lead compound, 1-(6-butoxy-2-naphthyl)-3-(4-nitrophenyl)-prop-2-en-1-one (K(4)A(3)) with an IC50 value of 18.5 mu M. (C) 1999 Elsevier Science Ltd. All rights reserved.