tert-butyl N-[(2S)-1-(4-aminophenyl)-3-trimethylsilyloxypropan-2-yl]-N-[(2S)-3-phenoxy-2-trimethylsilyloxypropyl]carbamate | 406165-19-3

• 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: tert-butyl N-[(2S)-1-(4-aminophenyl)-3-trimethylsilyloxypropan-2-yl]-N-[(2S)-3-phenoxy-2-trimethylsilyloxypropyl]carbamate
• CAS: 406165-19-3
• 化学式: C₂₉H₄₈N₂O₅Si₂
• 分子量: 560.882
• InChiKey: IQTPQBBHCPAABC-BDYUSTAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.57
• 重原子数：
  38
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(2S)-1-(4-aminophenyl)-3-trimethylsilyloxypropan-2-yl]-N-[(2S)-3-phenoxy-2-trimethylsilyloxypropyl]carbamate 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-propylurea
  参考文献：
  名称：

  Discovery of a novel, potent and selective human β3-adrenergic receptor agonist

  摘要：

  The discovery of a novel, potent and selective beta(3)-adrenergic receptor (AR) agonist is described. SAR studies demonstrated the structural requirements for activity and selectivity. Compound 1c, which showed good beta(3)-AR activity and selectivity, was identified and pharmacokinetics were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.001
• 作为产物：
  描述：

  (S)-3-(4-硝基苯基)2-氨基-1-丙醇 在 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 乙醇 为溶剂， 生成 tert-butyl N-[(2S)-1-(4-aminophenyl)-3-trimethylsilyloxypropan-2-yl]-N-[(2S)-3-phenoxy-2-trimethylsilyloxypropyl]carbamate
  参考文献：
  名称：

  Discovery of a novel, potent and selective human β3-adrenergic receptor agonist

  摘要：

  The discovery of a novel, potent and selective beta(3)-adrenergic receptor (AR) agonist is described. SAR studies demonstrated the structural requirements for activity and selectivity. Compound 1c, which showed good beta(3)-AR activity and selectivity, was identified and pharmacokinetics were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.001