3-(3,5-dibromo-4-[(3-methylbenzyl)oxy]phenyl)propanoic 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-methylbenzyl)oxy]phenyl)propanoic acid
• 英文别名: 3-{3,5-Dibromo-4-[(3-methylphenyl)methoxy]phenyl}propanoic acid；3-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
• 化学式: C₁₇H₁₆Br₂O₃
• 分子量: 428.12
• InChiKey: OSDJZABHEFWQAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-甲基苄溴 在 sodium hydroxide 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 16.17h， 生成 3-(3,5-dibromo-4-[(3-methylbenzyl)oxy]phenyl)propanoic 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

• 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
• US7319163B2
  申请人：——

  公开号：US7319163B2

  公开（公告）日：2008-01-15
• [EN] NOVEL PHARMACEUTICAL COMPOSITIONS<br/>[FR] NOUVELLES COMPOSITIONS PHARMACEUTIQUES
  申请人：KAROBIO AB

  公开号：WO2005094810A2

  公开（公告）日：2005-10-13

  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.
• Thyroid receptor ligands. Part 7: Indirect antagonists of the thyroid hormone receptor with improved affinity
  作者：Johan Malm、Sandra Gordon、Peter Brandt、Bo Carlsson、Peter Agback、Anna Bäckbro Saeidi、Johnny Sandberg

  DOI：10.1016/j.bmcl.2007.01.009

  日期：2007.4

  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.