3-hydroxy-5-chlorophenyl acetic acid | 149029-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-hydroxy-5-chlorophenyl acetic acid
• 英文别名: (3-chloro-5-hydroxy phenyl) acetic acid；(3-Chloro-5-hydroxyphenyl)acetic acid；2-(3-chloro-5-hydroxyphenyl)acetic acid
• CAS: 149029-88-9
• 化学式: C₈H₇ClO₃
• 分子量: 186.595
• InChiKey: OKNQVVFOZSGKGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.7±27.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 3-hydroxy-5-chlorophenyl acetic acid 在 乙酰氯 作用下， 生成 methyl (3-chloro-5-hydroxyphenyl)acetate
  参考文献：
  名称：

  Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease

  摘要：

  这项发明涉及替代二苯醚、-胺、-硫化物和-甲烷作为治疗呼吸系统疾病的有用药物化合物，包含它们的药物组合物，以及它们的制备方法。

  公开号：

  US20080293775A1
• 作为产物：
  描述：

  Methyl 2-(3-chloro-5-methoxyphenyl)acetate 在 水 、 氢溴酸 、 溶剂黄146 作用下， 反应 22.0h， 以95%的产率得到3-hydroxy-5-chlorophenyl acetic acid
  参考文献：
  名称：

  Discovery and optimization of CRTH2 and DP dual antagonists

  摘要：

  A series of phenylacetic acid derivatives was discovered as CRTH2 antagonists. Modification of the series led to compounds that are also antagonists of DP. Since activation of CRTH2 and DP are believed to play key roles in mediating responses of asthma and other immune diseases, this series was optimized to increase the dual antagonistic activities and improve pharmacokinetic properties. These efforts led to selection of AMG 009 as a clinical candidate. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.052

文献信息

• Asthma and allergic inflammation modulators
  申请人：——

  公开号：US20040220237A1

  公开（公告）日：2004-11-04

  Compounds, pharmaceutical compositions and methods are provided that are useful in the treatment of inflammatory and immune-related diseases and conditions. In particular, the invention provides compounds which modulate the function and/or expression of proteins involved in atopic diseases, inflammatory conditions and cancer. The subject compounds are carboxylic acid derivatives.

  本发明提供了一些化合物、药物组合物和方法，可用于治疗炎症和免疫相关的疾病和病况。特别地，本发明提供了一些调节参与变应性疾病、炎症病况和癌症中蛋白质功能和/或表达的化合物。这些化合物是羧酸衍生物。
• Derivative having ppar agonistic activity
  申请人：Itai Akiko

  公开号：US20090286974A1

  公开（公告）日：2009-11-19

  A compound of the formula (I): a pharmaceutically acceptable salt or solvate thereof, wherein Ring Q is optionally substituted monocyclic aryl, optionally substituted monocyclic heteroaryl, optionally substituted fused aryl or optionally substituted fused heteroaryl, Y 1 is a bond or —NR 6 — or the like, Ring A is optionally substituted nonaromatic heterocyclediyl, a group of the formula: -Y 2 Z 1 - is a group of the formula: R 7 are each independently hydrogen, optionally substituted lower alkyl or the like, R 8 and R 9 are each independently hydrogen or optionally substituted lower alkyl, n is an integer between 1 and 3, Z 1 is a bond, —O—, —S— or —NR 9 —, Ring B is optionally substituted aromatic carbocyclediyl or optionally substituted aromatic heterocyclediyl, Y 3 is a bond, optionally substituted lower alkylene optionally intervened by —O—, optionally substituted lower alkenylene or the like, and Z 2 is COOR 3 or the like.

  化合物的公式（I）：其药物可接受的盐或溶剂，其中环Q是可选择的取代的单环芳基，可选择的取代的单环杂芳基，可选择的融合芳基或可选择的融合杂芳基，Y1是键或-NR6-或类似物，环A是可选择的取代的非芳香杂环二基，公式组：-Y2Z1-是公式组：R7各自独立地是氢，可选择的取代的低烷基或类似物，R8和R9各自独立地是氢或可选择的取代的低烷基，n是1到3之间的整数，Z1是键，-O-，-S-或-NR9-，环B是可选择的取代的芳香碳杂环二基或可选择的取代的芳香杂环二基，Y3是键，可选择的取代的低烷基，可选择地介入-O-，可选择的取代的低烯基或类似物，并且Z2是COOR3或类似物。
• Derivative having PPAR agonistic activity
  申请人：Shionogi & Co., Ltd.

  公开号：US08097610B2

  公开（公告）日：2012-01-17

  A compound of the formula (I): or a pharmaceutically acceptable salt thereof.

  化合物式(I)或其药学上可接受的盐。
• Compounds
  申请人：AstraZeneca AB

  公开号：US08148572B2

  公开（公告）日：2012-04-03

  The invention relates to substituted phenylacetic acids as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation.

  该发明涉及取代苯乙酸作为治疗呼吸系统疾病有用的药物化合物，包含它们的制药组合物以及其制备过程。
• Novel Compounds
  申请人：Luker Timothy Jon

  公开号：US20090192163A1

  公开（公告）日：2009-07-30

  The invention relates to substituted phenylacetic acids as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation.

  本发明涉及取代苯乙酸作为治疗呼吸系统疾病的有用药物化合物、含有它们的药物组合物以及它们的制备方法。