2-[3-[2-Amino-4-(ethylcarbamoyl)phenoxy]-5-chlorophenyl]acetic acid | 721948-25-0

• 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: 2-[3-[2-Amino-4-(ethylcarbamoyl)phenoxy]-5-chlorophenyl]acetic acid
• CAS: 721948-25-0
• 化学式: C₁₇H₁₇ClN₂O₄
• 分子量: 348.786
• InChiKey: SGQFHMXCKKWRGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3-[2-Amino-4-(ethylcarbamoyl)phenoxy]-5-chlorophenyl]acetic acid 、 2,4-二氯苯磺酰氯 在 吡啶 作用下， 反应 24.0h， 生成 C₂₃H₁₉Cl₃N₂O₆S
  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
• 作为产物：
  描述：

  2-[3-Chloro-5-[4-(ethylcarbamoyl)-2-nitrophenoxy]phenyl]acetic acid 在 1% Pd/C 、 氢气 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 2-[3-[2-Amino-4-(ethylcarbamoyl)phenoxy]-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：Fu Zice

  公开号：US20080085891A1

  公开（公告）日：2008-04-10

  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.

  本发明提供了在治疗炎症和免疫相关疾病和病况方面有用的化合物、制药组合物和方法。特别是，本发明提供了调节参与过敏性疾病、炎症病况和癌症的蛋白质的功能和/或表达的化合物。所述化合物为羧酸衍生物。
• US7321001B2
  申请人：——

  公开号：US7321001B2

  公开（公告）日：2008-01-22
• US7541383B2
  申请人：——

  公开号：US7541383B2

  公开（公告）日：2009-06-02