2-(Imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-6-methylindole | 1426681-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(Imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-6-methylindole
• 英文别名: 2-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-6-methylindole
• CAS: 1426681-61-9
• 化学式: C₂₀H₁₉N₃O
• 分子量: 317.39
• InChiKey: NVMNKHSYZPZPKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  32
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl 6-methyl-1H-indole-2-carboxylate 在 potassium phosphate 、 copper(l) iodide 、 lithium aluminium tetrahydride 、 N,N'-二甲基乙二胺 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 24.0h， 生成 2-(Imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-6-methylindole
  参考文献：
  名称：

  Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives

  摘要：

  A series of novel indole-imidazole derivatives have been prepared and evaluated in vitro on the aromatase inhibitory activities. The results suggested that proton or a small electron-withdrawing group at para-position of the phenyl ring would enhance the inhibitory activities and any bulky group should be avoided in order to keep a relative small volume for this kind of molecules. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.045

文献信息

• Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives
  作者：Rui Wang、Hong-Fan Shi、Jing-Feng Zhao、Yan-Ping He、Hong-Bin Zhang、Jian-Ping Liu

  DOI：10.1016/j.bmcl.2013.01.045

  日期：2013.3

  A series of novel indole-imidazole derivatives have been prepared and evaluated in vitro on the aromatase inhibitory activities. The results suggested that proton or a small electron-withdrawing group at para-position of the phenyl ring would enhance the inhibitory activities and any bulky group should be avoided in order to keep a relative small volume for this kind of molecules. (C) 2013 Elsevier Ltd. All rights reserved.