2-[4-(2-Ethyl-1,3-thiazol-4-yl)phenoxy]ethanamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[4-(2-Ethyl-1,3-thiazol-4-yl)phenoxy]ethanamine
• 化学式: C₁₃H₁₆N₂OS
• 分子量: 248.349
• InChiKey: DWOMEPISTFIZQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  76.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[4-(2-Ethyl-1,3-thiazol-4-yl)phenoxy]ethanamine 、 2-chloro-5-[(2R)-2-oxiranyl]pyridine 以 乙醇 为溶剂， 反应 16.0h， 生成 (1R)-1-(6-chloropyridin-3-yl)-2-[2-[4-(2-ethyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol
  参考文献：
  名称：

  Discovery of potent and orally bioavailable heterocycle-based β3-adrenergic receptor agonists, potential therapeutics for the treatment of obesity

  摘要：

  A novel series of heterocycle-based analogs were prepared and evaluated for their in vitro and in vivo biological activity as human beta(3)-adrenergic receptor (AR) agonists. Several analogs demonstrated potent agonist activity at the beta(3)-AR, functional selectivity against beta(1)- and beta(2)-ARs, and favorable pharmacokinetic profiles in vivo. Compound 17 increased oxygen consumption in rats, a measure of energy expenditure, with an EDO20% of 2 mg/kg. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.072
• 作为产物：
  描述：

  在 甲烷磺酸 、 苯甲醚 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 2-[4-(2-Ethyl-1,3-thiazol-4-yl)phenoxy]ethanamine
  参考文献：
  名称：

  Discovery of potent and orally bioavailable heterocycle-based β3-adrenergic receptor agonists, potential therapeutics for the treatment of obesity

  摘要：

  A novel series of heterocycle-based analogs were prepared and evaluated for their in vitro and in vivo biological activity as human beta(3)-adrenergic receptor (AR) agonists. Several analogs demonstrated potent agonist activity at the beta(3)-AR, functional selectivity against beta(1)- and beta(2)-ARs, and favorable pharmacokinetic profiles in vivo. Compound 17 increased oxygen consumption in rats, a measure of energy expenditure, with an EDO20% of 2 mg/kg. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.072