3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propan-1-amine | 862117-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propan-1-amine
• CAS: 862117-76-8
• 化学式: C₁₉H₁₈N₂O
• 分子量: 290.365
• InChiKey: LPUZCTRUQAVPQU-UHFFFAOYSA-N

物化性质

• 沸点：
  528.9±50.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  55
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  对联苯磺酰氯 、 3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propan-1-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-{3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl}-4-phenylbenzene-1-sulfonamide
  参考文献：
  名称：

  Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase

  摘要：

  A series of inhibitors of mammalian 15-lipoxygenase based on tryptamine and homotryptamine scaffolds is described. Compounds with aryl substituents at C-2 of the indole core of tryptamine and homotryptamine sulfonamides (e.g., 37a-p) proved to be potent inhibitors of the isolated enzyme. Selected compounds also demonstrated desirable inhibition selectivities over isozymes 5- and P-12-LO. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.081
• 作为产物：
  描述：

  喹啉-3-硼酸 在 四(三苯基膦)钯 、 sodium carbonate 、 lithium chloride 、 肼 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 生成 3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propan-1-amine
  参考文献：
  名称：

  Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase

  摘要：

  A series of inhibitors of mammalian 15-lipoxygenase based on tryptamine and homotryptamine scaffolds is described. Compounds with aryl substituents at C-2 of the indole core of tryptamine and homotryptamine sulfonamides (e.g., 37a-p) proved to be potent inhibitors of the isolated enzyme. Selected compounds also demonstrated desirable inhibition selectivities over isozymes 5- and P-12-LO. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.081

文献信息

• US7429611B2
  申请人：——

  公开号：US7429611B2

  公开（公告）日：2008-09-30
• Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase
  作者：David S. Weinstein、Wen Liu、Zhengxiang Gu、Charles Langevine、Khehyong Ngu、Leena Fadnis、Donald W. Combs、Doree Sitkoff、Saleem Ahmad、Shaobin Zhuang、Xing Chen、Feng-Lai Wang、Deborah A. Loughney、Karnail S. Atwal、Robert Zahler、John E. Macor、Cort S. Madsen、Natesan Murugesan

  DOI：10.1016/j.bmcl.2004.12.081

  日期：2005.3

  A series of inhibitors of mammalian 15-lipoxygenase based on tryptamine and homotryptamine scaffolds is described. Compounds with aryl substituents at C-2 of the indole core of tryptamine and homotryptamine sulfonamides (e.g., 37a-p) proved to be potent inhibitors of the isolated enzyme. Selected compounds also demonstrated desirable inhibition selectivities over isozymes 5- and P-12-LO. (c) 2005 Elsevier Ltd. All rights reserved.