2-Chloro-1-[4-(4-chloro-2-fluoro-phenyl)-piperazin-1-yl]-ethanone | 1163268-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-Chloro-1-[4-(4-chloro-2-fluoro-phenyl)-piperazin-1-yl]-ethanone
• 英文别名: 2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone
• CAS: 1163268-97-0
• 化学式: C₁₂H₁₃Cl₂FN₂O
• 分子量: 291.152
• InChiKey: LYRUQKPOOJSPEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-吡啶甲醇 、 2-Chloro-1-[4-(4-chloro-2-fluoro-phenyl)-piperazin-1-yl]-ethanone 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 生成 mGluR5 modulator 1
  参考文献：
  名称：

  4-Aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators

  摘要：

  Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties. Compound 2b was further characterized as a PAM using several in vitro experiments, and produced robust activity in several preclinical animal models. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.036
• 作为产物：
  描述：

  1-(4-氯-2-氟苯基)-哌嗪 、 氯乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-Chloro-1-[4-(4-chloro-2-fluoro-phenyl)-piperazin-1-yl]-ethanone
  参考文献：
  名称：

  4-Aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators

  摘要：

  Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties. Compound 2b was further characterized as a PAM using several in vitro experiments, and produced robust activity in several preclinical animal models. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.036

文献信息

• [EN] ANTHELMINTIC AGENTS AND THEIR USE<br/>[FR] AGENTS ANTHELMINTHIQUES ET LEUR UTILISATION
  申请人：INTERVET INT BV

  公开号：WO2009077527A1

  公开（公告）日：2009-06-25

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration ofthe compounds and salts to animals in need of the treatments.

  该发明涉及一般用作驱虫剂或作为制备驱虫剂中间体的化合物和盐。该发明还涉及制备这些化合物和盐的工艺、包含这些化合物和盐的药物组合物和工具包、使用这些化合物和盐制作药物以及将这些化合物和盐用于需要治疗的动物的治疗方法。
• Anthelmintic agents and their use
  申请人：Chassaing Christophe Pierre Alain

  公开号：US08569495B2

  公开（公告）日：2013-10-29

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration of the compounds and salts to animals in need of the treatments.

  本发明涉及一些化合物和盐，它们通常用作驱虫剂或作为制造驱虫剂的中间体。本发明还涉及制造这些化合物和盐的过程，包括这些化合物和盐的药物组合物和试剂盒，使用这些化合物和盐制造药物，以及将这些化合物和盐用于需要治疗的动物的治疗。
• ANTHELMINTIC AGENTS AND THEIR USE
  申请人：Chassaing Christophe Pierre Alain

  公开号：US20110021506A1

  公开（公告）日：2011-01-27

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration of the compounds and salts to animals in need of the treatments.

  本发明涉及化合物和盐，通常用作驱虫剂或作为制备驱虫剂的中间体。本发明还涉及制备这些化合物和盐的方法，包括这些化合物和盐的制药组合物和试剂盒，使用这些化合物和盐制备药物以及将这些化合物和盐用于治疗需要治疗的动物的治疗方法。
• US8569495B2
  申请人：——

  公开号：US8569495B2

  公开（公告）日：2013-10-29
• 4-Aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators
  作者：Hui Xiong、Todd A. Brugel、Michael Balestra、Dean G. Brown、Kelly A. Brush、Caprice Hightower、Lindsay Hinkley、Valerie Hoesch、James Kang、Gerard M. Koether、John P. McCauley、Francis M. McLaren、Laura M. Panko、Thomas R. Simpson、Reed W. Smith、James M. Woods、Becky Brockel、Vijay Chhajlani、Reto A. Gadient、Nathan Spear、Linda A. Sygowski、Minli Zhang、Jalaj Arora、Nathalie Breysse、Julie M. Wilson、Methvin Isaac、Abdelmalik Slassi、Megan M. King

  DOI：10.1016/j.bmcl.2010.10.036

  日期：2010.12

  Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties. Compound 2b was further characterized as a PAM using several in vitro experiments, and produced robust activity in several preclinical animal models. (C) 2010 Elsevier Ltd. All rights reserved.