2-(3-{2-[5-bromo-2-(2,4-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}phenyl)-5-methyl-[1,3,4]oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(3-{2-[5-bromo-2-(2,4-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}phenyl)-5-methyl-[1,3,4]oxadiazole
• 英文别名: 2-[3-[2-[5-Bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]-5-methyl-1,3,4-oxadiazole
• 化学式: C₂₇H₂₀BrF₂N₃O₂
• 分子量: 536.376
• InChiKey: ABWSMEOXYWDCIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二氟溴苄 在 TEA 、 3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 2-(3-{2-[5-bromo-2-(2,4-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}phenyl)-5-methyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Discovery of novel, non-acidic 1,5-biaryl pyrrole EP1 receptor antagonists

  摘要：

  Replacement of the carboxylic acid group in a series of previously described 1,5-biaryl pyrrole EP1 receptor antagonists led to the discovery of various novel non-acidic antagonists. Several analogues displayed high binding affinity and high binding efficiency indices. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.021

文献信息

• Pyrrole compounds for the treatment of prostaglandine mediated diseases
  申请人：Giblin Martin Paul Gerard

  公开号：US20070082912A1

  公开（公告）日：2007-04-12

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein A, R 1 , R 2a , R 2b , R x , R 8 , and R 9 are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  化合物的公式（I）或其药学上可接受的衍生物： 其中A，R1，R2a，R2b，Rx，R8和R9如规范中所定义，制备这种化合物的方法，包含这种化合物的药物组合物以及这种化合物在医学上的使用。
• Discovery of novel, non-acidic 1,5-biaryl pyrrole EP1 receptor antagonists
  作者：Adrian Hall、Stephen Atkinson、Susan H. Brown、Iain P. Chessell、Anita Chowdhury、Gerard M.P. Giblin、Paul Goldsmith、Mark P. Healy、Karamjit S. Jandu、Matthew R. Johnson、Anton D. Michel、Alan Naylor、Jennifer A. Sweeting

  DOI：10.1016/j.bmcl.2006.12.021

  日期：2007.3

  Replacement of the carboxylic acid group in a series of previously described 1,5-biaryl pyrrole EP1 receptor antagonists led to the discovery of various novel non-acidic antagonists. Several analogues displayed high binding affinity and high binding efficiency indices. (c) 2006 Elsevier Ltd. All rights reserved.