2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone;bromide | 1373221-08-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone;bromide
• CAS: 1373221-08-9
• 化学式: Br*C₂₉H₂₁N₂O₂
• 分子量: 509.402
• InChiKey: BZMKEMXUPFKNEO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  39
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(1-苯并呋喃)苯胺 在 氨 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 8.0h， 生成 2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone;bromide
  参考文献：
  名称：

  Design, synthesis and cytotoxic activities of novel hybrid compounds between 2-phenylbenzofuran and imidazole

  摘要：

  A series of novel hybrid compounds between 2-phenylbenzofuran and imidazole have been prepared and evaluated in vitro against a panel of human tumor cell lines. The results suggest that substitution of the imidazolyl-3-position with a naphthylacyl or bromophenacyl group, were vital for modulating cytotoxic activity. In particular, hybrid compound 15 was found to be the most potent compound against 4 strains human tumor cell lines and more active than cisplatin (DDP), and exhibited cytotoxic activity selectively against liver carcinoma (SMMC-7721). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.094

文献信息

• Design, synthesis and cytotoxic activities of novel hybrid compounds between 2-phenylbenzofuran and imidazole
  作者：Xiao-Dong Yang、Wei-Chao Wan、Xiao-Yan Deng、Yan Li、Li-Juan Yang、Liang Li、Hong-Bin Zhang

  DOI：10.1016/j.bmcl.2012.02.094

  日期：2012.4

  A series of novel hybrid compounds between 2-phenylbenzofuran and imidazole have been prepared and evaluated in vitro against a panel of human tumor cell lines. The results suggest that substitution of the imidazolyl-3-position with a naphthylacyl or bromophenacyl group, were vital for modulating cytotoxic activity. In particular, hybrid compound 15 was found to be the most potent compound against 4 strains human tumor cell lines and more active than cisplatin (DDP), and exhibited cytotoxic activity selectively against liver carcinoma (SMMC-7721). (C) 2012 Elsevier Ltd. All rights reserved.