3-[3,5-dibromo-4-(3-diethylaminobenzyloxy)phenyl]propionic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[3,5-dibromo-4-(3-diethylaminobenzyloxy)phenyl]propionic acid
• 英文别名: 3-(3,5-Dibromo-4-{[3-(diethylamino)phenyl]methoxy}phenyl)propanoic acid；3-[3,5-dibromo-4-[[3-(diethylamino)phenyl]methoxy]phenyl]propanoic acid
• 化学式: C₂₀H₂₃Br₂NO₃
• 分子量: 485.216
• InChiKey: KVHGFYBGJGPWIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-硝基溴苄 在 sodium hydroxide 、 sodium tetrahydroborate 、 sodium dithionite 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 、 丙酮 为溶剂， 反应 18.67h， 生成 3-[3,5-dibromo-4-(3-diethylaminobenzyloxy)phenyl]propionic acid
  参考文献：
  名称：

  Thyroid receptor ligands. Part 7: Indirect antagonists of the thyroid hormone receptor with improved affinity

  摘要：

  Based on the concept of 'indirect antagonism' of nuclear receptors, a series of thyroid hormone receptor (TR) antagonists were prepared with improved affinity compared with what was previously described. The results of a binding assay for the human TR and reporter cell assay revealed, within this series, that an m-bromobenzoyl substituent (11f) was optimal in terms of affinity and antagonist activity. Compared with already reported TR antagonists, their affinities are within the same range, thus potentially representing useful approach to novel and high-affinity TR-antagonists. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.009

文献信息

• Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders
  申请人：Malm Johan

  公开号：US20050267206A1

  公开（公告）日：2005-12-01

  This invention relates to novel compounds which are thyroid receptor ligands, preferably antagonists, and to methods for using such compounds in the treatment of cardiac arrhythmias, thyrotoxicosis and subclinical hyperthyrodism.

  这项发明涉及一种新型化合物，这些化合物是甲状腺受体配体，最好是拮抗剂，并且涉及使用这些化合物治疗心律失常、甲状腺功能亢进和亚临床甲状腺功能亢进的方法。
• Novel Pharmaceutical Compositions
  申请人：Garg Neeraj

  公开号：US20080027096A1

  公开（公告）日：2008-01-31

  The invention provides compounds of formula (I) or a pharmaceutically acceptable ester, amide, solvate or salt thereof, including a salt of such an ester or amide, and a solvate of such an ester, amide or salt, for use in the treatment or prophylaxis of condition mediated by an androgen receptor.

  该发明提供了公式(I)的化合物或其药学上可接受的酯、酰胺、溶剂或盐，包括这种酯或酰胺的盐和这种酯、酰胺或盐的溶剂，用于治疗或预防由雄激素受体介导的疾病。
• NOVEL PHARMACEUTICAL COMPOSITIONS
  申请人：KARO BIO AB

  公开号：EP1729756A2

  公开（公告）日：2006-12-13
• US7005538B1
  申请人：——

  公开号：US7005538B1

  公开（公告）日：2006-02-28
• US7319163B2
  申请人：——

  公开号：US7319163B2

  公开（公告）日：2008-01-15