2-bromo-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide | 474953-21-4

• 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-bromo-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
• CAS: 474953-21-4
• 化学式: C₁₉H₂₂BrF₃N₂O₅S
• 分子量: 527.359
• InChiKey: OCAFNWMBFRIQMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-氟-4-硝基苯并三氟 在 吡啶 、 10% Pt/activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 67.0h， 生成 2-bromo-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
  参考文献：
  名称：

  Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists

  摘要：

  Potent small molecule antagonists of the urotensin receptor are described. These inhibitors were derived via systematically deconstructing a literature inhibitor to understand the basic pharmacophore and key molecular features required to inhibit the protein receptor. The series of benzylamine and benzylsulfone antagonists herein reported display a combination of nanomolar molecular and cellular potency as well as acceptable in vitro permeability and metabolic stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.105

文献信息

• Sulfonamides
  申请人：Dhanak Dashyant

  公开号：US20050043536A1

  公开（公告）日：2005-02-24

  The present invention relates to sulfonamides, pharmaceutical compositions containing them, and their use as antagonists of urotensin II.

  本发明涉及磺酰胺类化合物、含有它们的制药组合物以及它们作为尿钠肽II拮抗剂的用途。
• EP1385495A2
  申请人：——

  公开号：EP1385495A2

  公开（公告）日：2004-02-04
• EP1385495A4
  申请人：——

  公开号：EP1385495A4

  公开（公告）日：2005-12-21
• [EN] SULFONAMIDES<br/>[FR] SULFONAMIDES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2002089740A2

  公开（公告）日：2002-11-14

  The present invention relates to sulfonamides, pharmaceutical compositions containing them, and their use as antagonists of urotensin II.
• Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists
  作者：Steven J. Taylor、Fariba Soleymanzadeh、Ingo Muegge、Isamu Akiba、Naoyuki Taki、Saisoku Ueda、Elizabeth Mainolfi、Anne B. Eldrup

  DOI：10.1016/j.bmcl.2013.01.105

  日期：2013.4

  Potent small molecule antagonists of the urotensin receptor are described. These inhibitors were derived via systematically deconstructing a literature inhibitor to understand the basic pharmacophore and key molecular features required to inhibit the protein receptor. The series of benzylamine and benzylsulfone antagonists herein reported display a combination of nanomolar molecular and cellular potency as well as acceptable in vitro permeability and metabolic stability. (C) 2013 Elsevier Ltd. All rights reserved.