2-[4-[(6-Oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]benzenesulfonamide | 252014-43-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4-[(6-Oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]benzenesulfonamide
• CAS: 252014-43-0
• 化学式: C₂₈H₂₄N₂O₃S
• 分子量: 468.576
• InChiKey: ITWJPKCNTLJPPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  88.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-苯乙基异氰酸酯 、 2-[4-[(6-Oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]benzenesulfonamide 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 1-[2-[4-[(6-Oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-(2-phenylethyl)urea
  参考文献：
  名称：

  New class of biphenylene dibenzazocinones as potent ligands for the human EP1 prostanoid receptor

  摘要：

  A new class of potent and selective ligands for the human EPI prostanoid receptor is described. SAR studies reported herein allowed the identification of several potent dibenzazocinones bearing an acylsulfonamide side chain. The binding affinity of these compounds on all eight human prostanoid receptors is reported. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00465-5
• 作为产物：
  描述：

  4-羟甲基苯硼酸 在 四溴化碳 、 双硫磷 、 sodium hydride 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-[(6-Oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]benzenesulfonamide
  参考文献：
  名称：

  New class of biphenylene dibenzazocinones as potent ligands for the human EP1 prostanoid receptor

  摘要：

  A new class of potent and selective ligands for the human EPI prostanoid receptor is described. SAR studies reported herein allowed the identification of several potent dibenzazocinones bearing an acylsulfonamide side chain. The binding affinity of these compounds on all eight human prostanoid receptors is reported. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00465-5

文献信息

• New class of biphenylene dibenzazocinones as potent ligands for the human EP1 prostanoid receptor
  作者：Réjean Ruel、Patrick Lacombe、Mark Abramovitz、Claude Godbout、Sonia Lamontagne、Chantal Rochette、Nicole Sawyer、Rino Stocco、Nathalie M. Tremblay、Kathleen M. Metters、Marc Labelle

  DOI：10.1016/s0960-894x(99)00465-5

  日期：1999.9

  A new class of potent and selective ligands for the human EPI prostanoid receptor is described. SAR studies reported herein allowed the identification of several potent dibenzazocinones bearing an acylsulfonamide side chain. The binding affinity of these compounds on all eight human prostanoid receptors is reported. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.