[(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenoxy)-ethyl]-carbamic acid tert-butyl ester | 454219-06-8

• 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-phenoxy)-ethyl]-carbamic acid tert-butyl ester
• CAS: 454219-06-8
• 化学式: C₂₆H₃₈ClN₃O₆Si
• 分子量: 552.143
• InChiKey: LHVDHNSLJWSONI-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  104.03
• 氢给体数：
  0.0
• 氢受体数：
  7.0

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-phenoxy)-ethyl]-carbamic acid tert-butyl ester 在 吡啶 、 palladium on activated charcoal 、 ammonium formate 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 生成 [(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-pyridin-3-yl-ethyl]-{2-[4-(4-methyl-piperidine-1-sulfonylamino)-phenoxy]-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
• 作为产物：
  描述：

  2-[(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethylamino]-ethanol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 [(R)-2-(tert-Butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[2-(4-nitro-phenoxy)-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