3-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-propionic acid | 511534-56-8

• 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: 3-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-propionic acid
• 英文别名: 3-(4''-Phenethylsulfanylmethyl-biphenyl-2-yl)-propionic acid；3-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]propanoic acid
• CAS: 511534-56-8
• 化学式: C₂₄H₂₄O₂S
• 分子量: 376.519
• InChiKey: CRXHZADXSYCADC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-噻吩磺酰胺 、 3-(4'-Phenethylsulfanylmethyl-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 Thiophene-2-sulfonic acid [3-(4'-phenethylsulfanylmethyl-biphenyl-2-yl)-propionyl]-amide
  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：

  邻溴苯丙酸乙酯 在 lithium hydroxide 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 为溶剂， 生成 3-(4'-Phenethylsulfanylmethyl-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

• 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.