2-Methyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionic acid | 371147-89-6

• 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-Methyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionic acid
• 英文别名: 2-Methyl-3-[2-[4-[3-(3-methylphenoxy)propoxy]phenyl]phenyl]propanoic acid
• CAS: 371147-89-6
• 化学式: C₂₆H₂₈O₄
• 分子量: 404.506
• InChiKey: BJFCVCNWDZUTFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-噻吩磺酰胺 、 2-Methyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionic 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 N,N-二甲基甲酰胺 为溶剂， 生成 2-METHYL-3-(2-{4-[3-(3-METHYLPHENOXY)PROPOXY]PHENYL}PHENYL)-N-(2-THIENYLSULFONYL) PROPANAMIDE
  参考文献：
  名称：

  Structure–Activity Relationship of Biaryl Acylsulfonamide Analogues on the Human EP3 Prostanoid Receptor

  摘要：

  Potent and selective ligands for the human EP3 prostanoid receptor are described. Biaryl compounds hearing a tethered ortho substituted acidic moiety were identified as potent EP3 antagonists based on the SAR described herein. The binding affinity of key compounds on all eight human prostanoid receptors is reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00518-8
• 作为产物：
  描述：

  在 四(三苯基膦)钯 、 正丁基锂 、 N-环己基异丙基胺 、 sodium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 2-Methyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionic acid
  参考文献：
  名称：

  Structure–Activity Relationship of Biaryl Acylsulfonamide Analogues on the Human EP3 Prostanoid Receptor

  摘要：

  Potent and selective ligands for the human EP3 prostanoid receptor are described. Biaryl compounds hearing a tethered ortho substituted acidic moiety were identified as potent EP3 antagonists based on the SAR described herein. The binding affinity of key compounds on all eight human prostanoid receptors is reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00518-8

文献信息

• Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore
  申请人：——

  公开号：US20020082266A1

  公开（公告）日：2002-06-27

  This invention encompasses a method for the treatment or prevention of prostaglandin mediated diseases comprising administering to a mammalian patient a compound of formula I: 1 in an amount that is effective to treat or prevent said prostaglandin mediated disease. Novel compounds are also disclosed.

  这项发明涵盖了一种治疗或预防前列腺素介导疾病的方法，包括向哺乳动物患者施用式I:1的化合物，其数量足以治疗或预防前列腺素介导的疾病。还披露了新的化合物。
• US6627656B2
  申请人：——

  公开号：US6627656B2

  公开（公告）日：2003-09-30
• Structure–Activity Relationship of Biaryl Acylsulfonamide Analogues on the Human EP3 Prostanoid Receptor
  作者：M. Gallant、M.C. Carrière、A. Chateauneuf、D. Denis、Y. Gareau、C. Godbout、G. Greig、H. Juteau、N. Lachance、P. Lacombe、S. Lamontagne、K.M. Metters、C. Rochette、R. Ruel、D. Slipetz、N. Sawyer、N. Tremblay、M. Labelle

  DOI：10.1016/s0960-894x(02)00518-8

  日期：2002.9

  Potent and selective ligands for the human EP3 prostanoid receptor are described. Biaryl compounds hearing a tethered ortho substituted acidic moiety were identified as potent EP3 antagonists based on the SAR described herein. The binding affinity of key compounds on all eight human prostanoid receptors is reported. (C) 2002 Elsevier Science Ltd. All rights reserved.