1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-methoxyphenyl)-4,5-dihydro-1H-pyrazole | 1224606-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-methoxyphenyl)-4,5-dihydro-1H-pyrazole
• 英文别名: 3-(3-Methoxyphenyl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
• CAS: 1224606-10-3
• 化学式: C₂₀H₂₄N₂O₄
• 分子量: 356.422
• InChiKey: LTUJYOWFDBYEOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-3-(3"-methoxyphenyl)-1-(3',4',5'-trimethoxyphenyl)-2-propen-1-one 、 甲基肼 以 四氢呋喃 为溶剂， 反应 4.0h， 以40%的产率得到1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-methoxyphenyl)-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  The synthesis and Angiotensin Converting Enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives

  摘要：

  A series of chalcones (1-9) and pyrazoles (10-18) was prepared to investigate their potential activity as Angiotensin I-Converting Enzyme (ACE) inhibitors. Their structures were verified by elemental analysis, UV, IR, MS, H-1 NMR, C-13 NMR, and 2D NMR experiments. Among tested compounds, chalcone 7 exerted the highest activity with an IC50 value of 0.219 mM, while the most potent pyrazole was 15 (IC50 value of 0.213 mM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.113

文献信息

• The synthesis and Angiotensin Converting Enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives
  作者：Marco Bonesi、Monica R. Loizzo、Giancarlo A. Statti、Sylvie Michel、François Tillequin、Francesco Menichini

  DOI：10.1016/j.bmcl.2010.01.113

  日期：2010.3

  A series of chalcones (1-9) and pyrazoles (10-18) was prepared to investigate their potential activity as Angiotensin I-Converting Enzyme (ACE) inhibitors. Their structures were verified by elemental analysis, UV, IR, MS, H-1 NMR, C-13 NMR, and 2D NMR experiments. Among tested compounds, chalcone 7 exerted the highest activity with an IC50 value of 0.219 mM, while the most potent pyrazole was 15 (IC50 value of 0.213 mM). (C) 2010 Elsevier Ltd. All rights reserved.