5-bromo-1,3-dichloro-2-(4-nitrophenoxy)-benzene | 383180-97-0

• 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: 5-bromo-1,3-dichloro-2-(4-nitrophenoxy)-benzene
• 英文别名: 3,5-dichloro-4-(4-nitrophenoxy)bromobenzene；5-Bromo-1,3-dichloro-2-(4-nitrophenoxy)benzene
• CAS: 383180-97-0
• 化学式: C₁₂H₆BrCl₂NO₃
• 分子量: 362.995
• InChiKey: XCNZXCSEEBFTLH-UHFFFAOYSA-N

物化性质

• 沸点：
  381.2±42.0 °C(Predicted)
• 密度：
  1.712±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-bromo-1,3-dichloro-2-(4-nitrophenoxy)-benzene 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium hydroxide 、 copper(l) iodide 、 TEA 、 双氧水 、 硼酸 、 环己烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 2-[3,5-Dichloro-4-(4-nitrophenoxy)phenyl]acetic acid
  参考文献：
  名称：

  Thyroid receptor ligands. Part 4: 4′-amido bioisosteric ligands selective for the thyroid hormone receptor beta

  摘要：

  Based on the examination of the X-ray crystallographic structures of the LBD of TR alpha and TR beta in complex with KB-141 (2), a number of novel 4'-hydroxy bioisosteric thyromimetics were prepared. Optimal affinity and P-selectivity (33 times), was found with a medium-sized alkyl-substituted amido group; iso-butyl (12c). It can be concluded that bioisosteric replacements of the 4'-hydroxy position represent a new promising class of TR beta-selective synthetic thyromimetics. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.11.002
• 作为产物：
  描述：

  2,6-二氯苯酚 在 溴 、 铜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 5-bromo-1,3-dichloro-2-(4-nitrophenoxy)-benzene
  参考文献：
  名称：

  Thyroid receptor ligands. Part 4: 4′-amido bioisosteric ligands selective for the thyroid hormone receptor beta

  摘要：

  Based on the examination of the X-ray crystallographic structures of the LBD of TR alpha and TR beta in complex with KB-141 (2), a number of novel 4'-hydroxy bioisosteric thyromimetics were prepared. Optimal affinity and P-selectivity (33 times), was found with a medium-sized alkyl-substituted amido group; iso-butyl (12c). It can be concluded that bioisosteric replacements of the 4'-hydroxy position represent a new promising class of TR beta-selective synthetic thyromimetics. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.11.002

文献信息

• Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones
  申请人：——

  公开号：US20040097589A1

  公开（公告）日：2004-05-20

  This invention relates to compounds of the formula (I) which are thyroid receptor ligands, and are preferably selective for the thyroid hormone receptor &bgr;, to methods of preparing such compounds and to methods for using such compounds such as in the regulation of metabolism. 1

  这项发明涉及到公式(I)的化合物，这些化合物是甲状腺受体配体，且最好是选择性作用于甲状腺激素受体β，涉及到制备这类化合物的方法以及利用这类化合物的方法，如在代谢调节中的应用。
• Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands
  申请人：——

  公开号：US20040116387A1

  公开（公告）日：2004-06-17

  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 and metabolic disorders, such as cardiac arrhythmias, thyrotoxicosis, subcllinical hyperthyrodism and liver diseases.

  本发明涉及新型化合物，它们是甲状腺受体配体，优选为拮抗剂，并且涉及使用这些化合物治疗心脏和代谢性疾病的方法，例如心律失常、甲状腺中毒、亚临床甲状腺功能亢进和肝脏疾病。
• Indole Derivatives and Their Use as Thyroid Receptor Ligands
  申请人：Garcia Collazo Ana Maria

  公开号：US20090233979A1

  公开（公告）日：2009-09-17

  The invention provides compounds of formula (I) or pharmaceutically acceptable esters, amides, solvates or salts thereof, including salts of such esters or amides, and solvates of such esters, amides or salts, (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , Y and W are as defined in the specification. The invention also provides the use of such compounds in the treatment or prophylaxis of a condition that may be treated with a thyroid receptor agonist or partial agonist.

  该发明提供了式（I）的化合物或其药学上可接受的酯、酰胺、溶剂合物或盐，包括这些酯或酰胺的盐，以及这些酯、酰胺或盐的溶剂合物，其中R1、R2、R3、R4、R5、R6、Y和W的定义如规范中所述。该发明还提供了在治疗或预防可能用甲状腺受体激动剂或部分激动剂治疗的疾病中使用这些化合物的方法。
• WO2007/134864
  申请人：——

  公开号：——

  公开（公告）日：——
• PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS
  申请人：KARO BIO AB

  公开号：EP1358175A2

  公开（公告）日：2003-11-05