[2(R)-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[1,1-dimethyl-2-(4-nitro-phenyl)-ethyl]-amine | 454219-02-4

• 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: [2(R)-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[1,1-dimethyl-2-(4-nitro-phenyl)-ethyl]-amine
• 英文别名: N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(6-chloropyridin-3-yl)ethyl]-2-methyl-1-(4-nitrophenyl)propan-2-amine
• CAS: 454219-02-4
• 化学式: C₂₃H₃₄ClN₃O₃Si
• 分子量: 464.08
• InChiKey: AOEVEVBMSFDDRK-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [2(R)-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[1,1-dimethyl-2-(4-nitro-phenyl)-ethyl]-amine 在 吡啶 、 palladium on activated charcoal 、 四丁基氟化铵 、 ammonium formate 作用下， 以 四氢呋喃 、 甲醇 、 1,2-二氯乙烷 为溶剂， 生成 N-cyclohexyl-N'-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]-2-methylpropyl]phenyl]-sulfamide
  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-甲基-1-(4-硝基苯基)丙烷-2-胺 、 (R)-toluene-4-sulfonic acid 2-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl ester 在 ether-diethyl ether 、 水 、 Brine 、 Sodium sulfate-III 、 silica gel 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以Flash chromatography on silica gel (20% to 50% ethyl acetate/hexanes) afforded 8.0 g of the title compound (I-2f) as a golden oil的产率得到[2(R)-(tert-butyl-dimethyl-silanyloxy)-2-(6-chloro-pyridin-3-yl)-ethyl]-[1,1-dimethyl-2-(4-nitro-phenyl)-ethyl]-amine
  参考文献：
  名称：

  β3 agonists and uses thereof

  摘要：

  本文描述了具有公式（I）的磺酰胺化合物，以及它们在治疗依赖于与β肾上腺素受体相关的信号通路的疾病中的应用，例如肥胖症、糖尿病、高血压、胃肠道低动力或高动力和心血管疾病。

  公开号：

  US06939867B2

文献信息

• Sulfamide derivatives useful as beta3 agonists and pharmaceutical uses thereof
  申请人：Pfizer Products Inc.

  公开号：EP1236723A1

  公开（公告）日：2002-09-04

  Sulfamide compounds having formula (I) are described as well as their use in the treatment of diseases dependent on the signaling pathways associated with β-adrenergic receptors, such as obesity, diabetes, hypertension, gastrointestinal hypo- or hyper-motility and cardiovascular diseases.

  公式（I）的磺胺化合物被描述，并且它们被用于治疗依赖于与β-肾上腺素受体相关的信号通路的疾病，例如肥胖症、糖尿病、高血压、胃肠道低动力或高动力以及心血管疾病。
• Beta3 agonists and uses thereof
  申请人：——

  公开号：US20020128247A1

  公开（公告）日：2002-09-12

  Sulfamide compounds having formula (I) are described as well as their use in the treatment of diseases dependent on the signaling pathways associated with &bgr;-adrenergic receptors, such as obesity, diabetes, hypertension, gastrointestinal hypo- or hyper-motility and cardiovascular diseases. 1

  化学式为(I)的磺胺化合物被描述，并且它们在治疗依赖与β-肾上腺素受体相关的信号通路的疾病中的用途也被描述，例如肥胖症、糖尿病、高血压、胃肠道低动力或高动力和心血管疾病。
• β3 agonists and uses thereof
  申请人：Dow Robert L.

  公开号：US06939867B2

  公开（公告）日：2005-09-06

  Sulfamide compounds having formula (I) are described as well as their use in the treatment of diseases dependent on the signaling pathways associated with β-adrenergic receptors, such as obesity, diabetes, hypertension, gastrointestinal hypo- or hyper-motility and cardiovascular diseases

  本文描述了具有公式（I）的磺酰胺化合物，以及它们在治疗依赖于与β肾上腺素受体相关的信号通路的疾病中的应用，例如肥胖症、糖尿病、高血压、胃肠道低动力或高动力和心血管疾病。
• 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.