methyl 2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate | 445307-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: methyl 2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate
• CAS: 445307-46-0
• 化学式: C₂₃H₂₅ClN₂O₃S
• 分子量: 444.982
• InChiKey: ZGUDMMUJOFYGLI-VFNWGFHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  98.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and evaluation of potent and selective β3 adrenergic receptor agonists containing heterobiaryl carboxylic acids

  摘要：

  The design, synthesis, and SAR of a novel series of heterobiaryl phenethanolamine beta(3) adrenergic receptor agonists are described. The furan analogue 49 was shown to elicit a significant dose-dependent lowering of plasma glucose in a rodent model of type 2 diabetes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.069
• 作为产物：
  描述：

  2-(3-Nitrophenyl)thiophene-3-carboxylic acid 在 palladium on activated charcoal 盐酸 、 硫酸 、 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 生成 methyl 2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of potent and selective β3 adrenergic receptor agonists containing heterobiaryl carboxylic acids

  摘要：

  The design, synthesis, and SAR of a novel series of heterobiaryl phenethanolamine beta(3) adrenergic receptor agonists are described. The furan analogue 49 was shown to elicit a significant dose-dependent lowering of plasma glucose in a rodent model of type 2 diabetes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.069

文献信息

• Synthesis and evaluation of potent and selective β3 adrenergic receptor agonists containing heterobiaryl carboxylic acids
  作者：Barry G. Shearer、Esther Y. Chao、David E. Uehling、David N. Deaton、Conrad Cowan、Bryan W. Sherman、Tula Milliken、Walter Faison、Kathleen Brown、Kimberly K. Adkison、Frank Lee

  DOI：10.1016/j.bmcl.2007.05.069

  日期：2007.8

  The design, synthesis, and SAR of a novel series of heterobiaryl phenethanolamine beta(3) adrenergic receptor agonists are described. The furan analogue 49 was shown to elicit a significant dose-dependent lowering of plasma glucose in a rodent model of type 2 diabetes. (c) 2007 Elsevier Ltd. All rights reserved.