4,6-Dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxyphenoxy]-1-benzofuran-2-carboxylic acid | 463927-70-0

• 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: 4,6-Dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxyphenoxy]-1-benzofuran-2-carboxylic acid
• CAS: 463927-70-0
• 化学式: C₂₂H₁₁Br₂FO₆
• 分子量: 550.132
• InChiKey: GIYRXPZCGDUAFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,6-Dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxyphenoxy]-1-benzofuran-2-carboxylic acid 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以92%的产率得到4,6-Dibromo-5-{3-[(4-fluorophenyl)(hydroxy)methyl]-4-hydroxyphenoxy}-1-benzofuran-2-carboxylic acid
  参考文献：
  名称：

  Novel heterocyclic thyromimetics. Part 2

  摘要：

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.085
• 作为产物：
  描述：

  5-甲氧基苯并呋喃-2-羧酸 乙酯 在 sodium hydroxide 、 三氯化铝 、 copper bronze 、 溴 、 三溴化硼 、 四氯化钛 、 溶剂黄146 、 三乙胺 、 乙硫醇 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 4,6-Dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxyphenoxy]-1-benzofuran-2-carboxylic acid
  参考文献：
  名称：

  Novel heterocyclic thyromimetics. Part 2

  摘要：

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.085

文献信息

• Benzofuran derivatives
  申请人：——

  公开号：US20040220415A1

  公开（公告）日：2004-11-04

  The invention relates to novel benzofuran derivatives, to processes for preparing them and to their uses in medicaments.

  本发明涉及新型苯并呋喃衍生物，其制备方法以及在药物中的应用。
• US7015246B2
  申请人：——

  公开号：US7015246B2

  公开（公告）日：2006-03-21
• Novel heterocyclic thyromimetics. Part 2
  作者：Helmut Haning、Ulrich Mueller、Gunter Schmidt、Carsten Schmeck、Verena Voehringer、Axel Kretschmer、Hilmar Bischoff

  DOI：10.1016/j.bmcl.2007.04.085

  日期：2007.7

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.