N-(3-{Benzyl-[4-(4-bromo-phenoxy)-benzyl]-amino}-2-methyl-phenyl)-methanesulfonamide | 756843-43-3

• 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: N-(3-{Benzyl-[4-(4-bromo-phenoxy)-benzyl]-amino}-2-methyl-phenyl)-methanesulfonamide
• 英文别名: N-[3-[benzyl-[[4-(4-bromophenoxy)phenyl]methyl]amino]-2-methylphenyl]methanesulfonamide
• CAS: 756843-43-3
• 化学式: C₂₈H₂₇BrN₂O₃S
• 分子量: 551.504
• InChiKey: FOJZBFDDMSIIMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  67
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-{Benzyl-[4-(4-bromo-phenoxy)-benzyl]-amino}-2-methyl-phenyl)-methanesulfonamide 在 sodium hydroxide 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 24.0h， 生成 N-(3-{benzyl[4-(4-(2-carboxyethyl)phenoxy)benzyl]amino}-2-methylphenyl)methanesulfonamide
  参考文献：
  名称：

  Bile acid conjugates of a nonsteroidal glucocorticoid receptor modulator

  摘要：

  Bile acid conjugates of a selective nonsteroidal glucocorticoid receptor modulator were prepared and evaluated. Potent GR binding conjugates that showed improved metabolic stability were discovered. However, cellular potency and pharmacokinetics were not substantially improved. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.022
• 作为产物：
  描述：

  4-(4-溴苯氧基)苯甲醛 在 吡啶 、 三乙酰氧基硼氢化钠 、 铁粉 、 氯化铵 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 N-(3-{Benzyl-[4-(4-bromo-phenoxy)-benzyl]-amino}-2-methyl-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Bile acid conjugates of a nonsteroidal glucocorticoid receptor modulator

  摘要：

  Bile acid conjugates of a selective nonsteroidal glucocorticoid receptor modulator were prepared and evaluated. Potent GR binding conjugates that showed improved metabolic stability were discovered. However, cellular potency and pharmacokinetics were not substantially improved. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.022

文献信息

• Glucocorticoid receptor modulators
  申请人：——

  公开号：US20020156311A1

  公开（公告）日：2002-10-24

  Compounds of formula (I) 1 or pharmaceutically acceptable salts thereof are novel glucocorticoid receptor modulators and are useful for treating type II diabetes in a mammal.

  化合物的结构式（I）1或其药学上可接受的盐是新型糖皮质激素受体调节剂，可用于治疗哺乳动物的II型糖尿病。
• GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：KARO BIO AB

  公开号：EP1363876B1

  公开（公告）日：2009-07-29
• US6583180B2
  申请人：——

  公开号：US6583180B2

  公开（公告）日：2003-06-24
• Bile acid conjugates of a nonsteroidal glucocorticoid receptor modulator
  作者：Noah Tu、J.T Link、Bryan K Sorensen、Maurice Emery、Marlena Grynfarb、Annika Goos-Nilsson、Bach Nguyen

  DOI：10.1016/j.bmcl.2004.06.022

  日期：2004.8

  Bile acid conjugates of a selective nonsteroidal glucocorticoid receptor modulator were prepared and evaluated. Potent GR binding conjugates that showed improved metabolic stability were discovered. However, cellular potency and pharmacokinetics were not substantially improved. (C) 2004 Elsevier Ltd. All rights reserved.