6-(2,5-dichlorophenoxy)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyrimidin-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(2,5-dichlorophenoxy)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyrimidin-2-one
• 化学式: C₂₀H₁₆Cl₂N₄O₃
• 分子量: 431.278
• InChiKey: ONHFEABHFHNJOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-二氯苯酚 在 氯化亚砜 、 sodium hydride 、 溶剂黄146 、 三乙胺 、 间氯过氧苯甲酸 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-(2,5-dichlorophenoxy)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyrimidin-2-one
  参考文献：
  名称：

  Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists

  摘要：

  Takeda G-protein-coupled receptor 5 (TGR5) is a promising molecular target for metabolic diseases. A series of 4-(2,5-dichlorophenoxy)pyrimidine and cyclopropylmalonamide derivatives were synthesized as potent agonists of TGR5 based on a bioisosteric replacement strategy. Several compounds exhibited improved potency, compared to a reference compound with a pyridine scaffold. The pharmacokinetic profile of the representative compound 18 was considered moderate.

  DOI：

  10.1016/j.bmcl.2014.07.026

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS
  申请人：Viking Therapeutics, Inc.

  公开号：US20220016136A1

  公开（公告）日：2022-01-20

  The present disclosure is directed toward the use of thyroid receptor agonists of pharmaceutically acceptable salts thereof, in combination with a second pharmaceutical agent for preventing, treating, or ameliorating fatty liver diseases such as steatosis, non-alcoholic fatty liver disease, and non-alcoholic steatohepatitis.