[2-(4-Amino-phenoxy)-ethyl]-[(R)-2-(tert-butyl-dimethyl-silanyloxy)-2-pyridin-3-yl-ethyl]-carbamic acid tert-butyl ester | 454219-07-9

• 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-Amino-phenoxy)-ethyl]-[(R)-2-(tert-butyl-dimethyl-silanyloxy)-2-pyridin-3-yl-ethyl]-carbamic acid tert-butyl ester
• CAS: 454219-07-9
• 化学式: C₂₆H₄₁N₃O₄Si
• 分子量: 487.715
• InChiKey: SREPSWYMQOINNE-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  86.91
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [2-(4-Amino-phenoxy)-ethyl]-[(R)-2-(tert-butyl-dimethyl-silanyloxy)-2-pyridin-3-yl-ethyl]-carbamic acid tert-butyl ester 在 吡啶 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  Potent and selective, sulfamide-based human β3-adrenergic receptor agonists

  摘要：

  A series of sulfamide-based analogs related to L-796568 were prepared and evaluated for their biological activity at the human beta(3)-adrenergic receptor (AR). This modification allows for a significant reduction in molecular weight, while maintaining single-digit nanomolar potencies at the beta(3)-AR and high selectivities versus the beta(1)- or beta(2)-AR. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.089
• 作为产物：
  描述：

  (R)-toluene-4-sulfonic acid 2-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl ester 在 palladium on activated charcoal 、 偶氮二甲酸二异丙酯 、 ammonium formate 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 为溶剂， 生成 [2-(4-Amino-phenoxy)-ethyl]-[(R)-2-(tert-butyl-dimethyl-silanyloxy)-2-pyridin-3-yl-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Potent and selective, sulfamide-based human β3-adrenergic receptor agonists

  摘要：

  A series of sulfamide-based analogs related to L-796568 were prepared and evaluated for their biological activity at the human beta(3)-adrenergic receptor (AR). This modification allows for a significant reduction in molecular weight, while maintaining single-digit nanomolar potencies at the beta(3)-AR and high selectivities versus the beta(1)- or beta(2)-AR. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.089

文献信息

• Potent and selective, sulfamide-based human β3-adrenergic receptor agonists
  作者：Robert L. Dow、Ernest S. Paight、Steven R. Schneider、John R. Hadcock、Diane M. Hargrove、Kelly A. Martin、Tristan S. Maurer、Nancy A. Nardone、David A. Tess、Paul DaSilva-Jardine

  DOI：10.1016/j.bmcl.2004.03.089

  日期：2004.6

  A series of sulfamide-based analogs related to L-796568 were prepared and evaluated for their biological activity at the human beta(3)-adrenergic receptor (AR). This modification allows for a significant reduction in molecular weight, while maintaining single-digit nanomolar potencies at the beta(3)-AR and high selectivities versus the beta(1)- or beta(2)-AR. (C) 2004 Elsevier Ltd. All rights reserved.