4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-propyl]-thiazol-5-yl}-butyric acid ethyl ester | 159877-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-propyl]-thiazol-5-yl}-butyric acid ethyl ester
• CAS: 159877-85-7
• 化学式: C₂₁H₃₀N₂O₄S
• 分子量: 406.546
• InChiKey: XBADDQPZDMPHHP-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  28.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  80.68
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-propyl]-thiazol-5-yl}-butyric acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以92%的产率得到[S-(R*,S*)]-2-[2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl]-5-thiazolebutanoic acid
  参考文献：
  名称：

  BMS-187257, a potent, selective, and novel heterocyclic β3 adrenergic receptor agonist

  摘要：

  Novel heterocyclic beta(3) adrenergic receptor agonists(2) were prepared and evaluated for their ability to bind to human beta(1), beta(2), and beta(3) adrenergic receptors. Stimulatory effects on the beta(3) adrenergic receptor were also measured. BMS-187257 (4b) was found to be a potent and selective beta(3) agonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00417-9
• 作为产物：
  描述：

  5-Bromo-6-oxo-hexanoic acid ethyl ester 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-propyl]-thiazol-5-yl}-butyric acid ethyl ester
  参考文献：
  名称：

  BMS-187257, a potent, selective, and novel heterocyclic β3 adrenergic receptor agonist

  摘要：

  Novel heterocyclic beta(3) adrenergic receptor agonists(2) were prepared and evaluated for their ability to bind to human beta(1), beta(2), and beta(3) adrenergic receptors. Stimulatory effects on the beta(3) adrenergic receptor were also measured. BMS-187257 (4b) was found to be a potent and selective beta(3) agonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00417-9