Methyl 2-(3-chloro-5-methoxyphenyl)acetate | 825645-06-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Methyl 2-(3-chloro-5-methoxyphenyl)acetate
• CAS: 825645-06-5
• 化学式: C₁₀H₁₁ClO₃
• 分子量: 214.649
• InChiKey: FVBYCAMJLPNBEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  286.3±25.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  甲醇 、 1-(3-chloro-5-methoxyphenyl)-2-diazoethan-1-one 在 silver benzoate 、 三乙胺 作用下， 反应 6.0h， 以70%的产率得到Methyl 2-(3-chloro-5-methoxyphenyl)acetate
  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

• [EN] DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA<br/>[FR] ANTAGONISTES DOUBLES DES RECEPTEURS NK1/NK3 POUR TRAITER LA SCHIZOPHRENIE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005002577A1

  公开（公告）日：2005-01-13

  The use of compounds of the general formula wherein the substituents are as described in claim 1 or pharmaceutically active acid-addition salts thereof for the preparation of medicaments for the treatment of schizophrenia.

  使用一般式化合物，其中取代基如权利要求1中所述，或其药用活性酸盐，用于制备治疗精神分裂症的药物。
• Dual NK1/NK3 receptor antagonists
  申请人：Hoffmann Torsten

  公开号：US20050090533A1

  公开（公告）日：2005-04-28

  The present invention provides a method for the treatment of schizophrenia which comprises administering a compound of formula wherein the substituents are as described herein or a pharmaceutically active acid-addition salt thereof. In particular, the invention provides methods for treating both positive and negative symptoms of schizophrenia through dual inhibition of NK1 and NK3 receptors. The invention also provides novel compounds with formula I and methods for preparing compounds of the invention.

  本发明提供了一种治疗精神分裂症的方法，包括给予式中所述的取代基如本文所述的化合物或其药物活性酸盐。特别地，本发明提供了通过双重抑制NK1和NK3受体治疗精神分裂症的方法，包括治疗阳性和阴性症状。本发明还提供了具有式I的新化合物以及制备本发明化合物的方法。
• DUAL NK1/NK3 RECEPTOR ANTAGONISTS
  申请人：Hoffmann Torsten

  公开号：US20110178055A1

  公开（公告）日：2011-07-21

  The present invention provides a method for the treatment of schizophrenia which comprises administering a compound of formula wherein the substituents are as described herein or a pharmaceutically active acid-addition salt thereof. In particular, the invention provides methods for treating both positive and negative symptoms of schizophrenia through dual inhibition of NK1 and NK3 receptors. The invention also provides novel compounds with formula I and methods for preparing compounds of the invention.

  本发明提供了一种治疗精神分裂症的方法，该方法包括给予式中所述的取代基如此描述或其药物活性酸加成盐。特别地，本发明通过双重抑制NK1和NK3受体提供了治疗精神分裂症的方法，包括治疗阳性和阴性症状。本发明还提供了式I的新化合物以及制备本发明化合物的方法。
• DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1643998A1

  公开（公告）日：2006-04-12
• US7939533B2
  申请人：——

  公开号：US7939533B2

  公开（公告）日：2011-05-10