[(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester | 364080-74-0

• 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: [(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(6-chloropyridin-3-yl)ethyl]-N-[2-(4-nitrophenyl)ethyl]carbamate
• CAS: 364080-74-0
• 化学式: C₂₆H₃₈ClN₃O₅Si
• 分子量: 536.143
• InChiKey: ANPOTZGIRMMRRC-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.19
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  97.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 以77%的产率得到tert-butyl N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-ylethyl]carbamate
  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：

  4-硝基苯乙胺 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 [(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenyl)-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.