methyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate | 445307-31-3

• 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: methyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate
• CAS: 445307-31-3
• 化学式: C₃₄H₄₇ClN₂O₅SSi
• 分子量: 659.362
• InChiKey: XRRYPSHCOZYOBD-BTYSJIOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.66
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]amino]phenyl]thiophene-3-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 methyl 2-[4-[[(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
• 作为产物：
  描述：

  2-(4-nitrophenyl)thiophene-3-carboxylate methyl ester 在 palladium on activated charcoal 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 methyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]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