3-(1-methyl-4-quinoxalin-2-yloxyindol-3-yl)-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide | 1057257-64-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(1-methyl-4-quinoxalin-2-yloxyindol-3-yl)-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide
• CAS: 1057257-64-3
• 化学式: C₂₆H₁₇F₃N₄O₄S
• 分子量: 538.507
• InChiKey: AIHBNUULUGTKAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  103.18
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,4,5-三氟苯磺酰胺 、 3-(1-methyl-4-quinoxalin-2-yloxyindol-3-yl)prop-2-enoic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 3-(1-methyl-4-quinoxalin-2-yloxyindol-3-yl)-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide
  参考文献：
  名称：

  3-Acrylamide-4-aryloxyindoles: Synthesis, biological evaluation and metabolic stability of potent and selective EP3 receptor antagonists

  摘要：

  A series of potent and selective EP3 receptor antagonists are described. Utilizing a pharmacophore model developed for the EP3 receptor, a series of 3,4-disubstituted indoles were found to be efficient ligands for this target. These compounds showed high selectivity over IP, FP and other EP receptors. An optimized molecule 7c featured a sound pro. le and potency in the functional rat and human platelet aggregation assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.112

文献信息

• 3-Acrylamide-4-aryloxyindoles: Synthesis, biological evaluation and metabolic stability of potent and selective EP3 receptor antagonists
  作者：Nian Zhou、Wayne Zeller、Jun Zhang、Emmanuel Onua、Alex S. Kiselyov、Jose Ramirez、Guðrún Palsdottir、Guðrún Halldorsdottir、Þorkell Andrésson、Mark E. Gurney、Jasbir Singh

  DOI：10.1016/j.bmcl.2008.12.112

  日期：2009.3

  A series of potent and selective EP3 receptor antagonists are described. Utilizing a pharmacophore model developed for the EP3 receptor, a series of 3,4-disubstituted indoles were found to be efficient ligands for this target. These compounds showed high selectivity over IP, FP and other EP receptors. An optimized molecule 7c featured a sound pro. le and potency in the functional rat and human platelet aggregation assays. (C) 2009 Elsevier Ltd. All rights reserved.