(4-bromo-2,5-dimethyl-3-thienyl)(4-chlorophenyl)methanol | 1207860-91-0

• 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: (4-bromo-2,5-dimethyl-3-thienyl)(4-chlorophenyl)methanol
• 英文别名: (4-Bromo-2,5-dimethylthiophen-3-yl)-(4-chlorophenyl)methanol
• CAS: 1207860-91-0
• 化学式: C₁₃H₁₂BrClOS
• 分子量: 331.661
• InChiKey: UVXAZPMSFSRHCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-bromo-2,5-dimethyl-3-thienyl)(4-chlorophenyl)methanol 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以90%的产率得到3-bromo-4-(4-chlorobenzyl)-2,5-dimethylthiophene
  参考文献：
  名称：

  The Discovery of 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic Acid (MK-2894), A Potent and Selective Prostaglandin E₂ Subtype 4 Receptor Antagonist

  摘要：

  The discovery of highly potent and selective second generation EP4 antagonist MK-2894 (34d) is discussed. This compound exhibits favorable pharmacokinetic profile in a number of preclinical species and potent anti-inflammatory activity in several animal models of pain/inflammation. It also shows favorable GI tolerability profile in rats when compared to traditional NSAID indomethacin.

  DOI：

  10.1021/jm901771h
• 作为产物：
  描述：

  2,4-二溴-3,5-二甲基噻吩 、 4-氯苯甲醛 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以79%的产率得到(4-bromo-2,5-dimethyl-3-thienyl)(4-chlorophenyl)methanol
  参考文献：
  名称：

  The Discovery of 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic Acid (MK-2894), A Potent and Selective Prostaglandin E₂ Subtype 4 Receptor Antagonist

  摘要：

  The discovery of highly potent and selective second generation EP4 antagonist MK-2894 (34d) is discussed. This compound exhibits favorable pharmacokinetic profile in a number of preclinical species and potent anti-inflammatory activity in several animal models of pain/inflammation. It also shows favorable GI tolerability profile in rats when compared to traditional NSAID indomethacin.

  DOI：

  10.1021/jm901771h

文献信息

• The Discovery of 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic Acid (MK-2894), A Potent and Selective Prostaglandin E₂ Subtype 4 Receptor Antagonist
  作者：Marc Blouin、Yongxin Han、Jason Burch、Julie Farand、Christophe Mellon、Mireille Gaudreault、Mark Wrona、Jean-François Lévesque、Danielle Denis、Marie-Claude Mathieu、Rino Stocco、Erika Vigneault、Alex Therien、Patsy Clark、Steve Rowland、Daigen Xu、Gary O’Neill、Yves Ducharme、Rick Friesen

  DOI：10.1021/jm901771h

  日期：2010.3.11

  The discovery of highly potent and selective second generation EP4 antagonist MK-2894 (34d) is discussed. This compound exhibits favorable pharmacokinetic profile in a number of preclinical species and potent anti-inflammatory activity in several animal models of pain/inflammation. It also shows favorable GI tolerability profile in rats when compared to traditional NSAID indomethacin.