2-(2,6-二氯苯基甲氧基)苯硼酸 | 1256355-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,6-二氯苯基甲氧基)苯硼酸
• 英文名称: (2-[(2,6-DICHLOROPHENYL)METHOXY]PHENYL)BORANEDIOL
• 英文别名: 2-(2,6-Dichlorophenylmethoxy)phenylboronic acid；[2-[(2,6-dichlorophenyl)methoxy]phenyl]boronic acid
• CAS: 1256355-85-7
• 化学式: C₁₃H₁₁BCl₂O₃
• mdl: MFCD12634041
• 分子量: 296.946
• InChiKey: GMDQQBXOTWOKNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,6-二氯苯基甲氧基)苯硼酸 在 盐酸 、 lithium hydroxide 、 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 为溶剂， 生成 3-[2-(2,6-Dichloro-benzyloxy)-[1,1';3',1'']terphenyl-2''-yl]-propionic acid
  参考文献：
  名称：

  Structure–activity relationship of triaryl propionic acid analogues on the human EP 3 prostanoid receptor

  摘要：

  Potent and selective ligands for the human EP3 prostanoid receptor are described. Triaryl compounds bearing an ortho-substituted propionic acid moiety were identified as potent EP3 antagonists based on the SAR described herein. The binding affinities of key compound on all eight human prostanoid receptors is reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00794-7

文献信息

• Structure–activity relationship of triaryl propionic acid analogues on the human EP 3 prostanoid receptor
  作者：Michel Gallant、Michel Belley、Marie-Claude Carrière、Anne Chateauneuf、Danielle Denis、Nicolas Lachance、Sonia Lamontagne、Kathleen M. Metters、Nicole Sawyer、Deborah Slipetz、Jean François Truchon、Marc Labelle

  DOI：10.1016/s0960-894x(03)00794-7

  日期：2003.11

  Potent and selective ligands for the human EP3 prostanoid receptor are described. Triaryl compounds bearing an ortho-substituted propionic acid moiety were identified as potent EP3 antagonists based on the SAR described herein. The binding affinities of key compound on all eight human prostanoid receptors is reported. (C) 2003 Elsevier Ltd. All rights reserved.