1-(3'-methoxybiphenyl-2-ylmethyl)-4-(2-methoxyphenyl)piperazine | 1430810-77-7

• 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: 1-(3'-methoxybiphenyl-2-ylmethyl)-4-(2-methoxyphenyl)piperazine
• 英文别名: 1-(3'-Methoxybiphenyl-2-yl methyl)-4-(2-methoxyphenyl)piperazine；1-(2-methoxyphenyl)-4-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
• CAS: 1430810-77-7
• 化学式: C₂₅H₂₈N₂O₂
• 分子量: 388.51
• InChiKey: XOEHYKOQDUCNMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  24.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲氧基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1-(3'-methoxybiphenyl-2-ylmethyl)-4-(2-methoxyphenyl)piperazine
  参考文献：
  名称：

  Discovery of aryl-biphenyl-2-ylmethylpiperazines as novel scaffolds for 5-HT7 ligands and role of the aromatic substituents in binding to the target receptor

  摘要：

  It has been reported that 5-HT7 receptors are promising targets of depression and neuropathic pain. 5-HT7 receptor antagonists have exhibited antidepressant-like profiles, while agonists have represented potential therapeutics for pain. In the course of our ongoing efforts to discover novel 5-HT7 modulators, we designed an arylpiperazine scaffold with a substituted biphenyl-2-ylmethyl group. A series of biphenyl-2-yl-arylpiperazinylmethanes were then prepared, which showed a broad spectrum of binding affinities to the 5-HT7 receptor depending upon the substituents attached to the biphenyl and aryl functionalities. Among those synthesized compounds, the compounds 1-24 and 1-26 showed the best binding affinities to the 5-HT7 receptor with K-i values of 43.0 and 46.0 nM, respectively. Structure-activity relationship study in conjunction with molecular docking study proposed that the 5-HT7 receptor might have two distinctive hydrophobic binding sites, one specific for aromatic 2-OCH3 substituents within the arylpiperazine and the other for biphenyl methoxy group. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.038

文献信息

• BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20140228568A1

  公开（公告）日：2014-08-14

  Provided are biphenyl derivatives exhibiting activity towards central nervous system diseases by acting on the 5-HT 7 receptor, pharmaceutically acceptable salts thereof, a method for preparing the compounds and pharmaceutical compositions including the compounds as an active ingredient.

  提供了对中枢神经系统疾病具有作用的二苯基衍生物，通过作用于5-HT7受体，其药学上可接受的盐，制备该化合物的方法以及包括该化合物作为活性成分的制药组合物。
• Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof
  申请人：Korea Institute of Science and Technology

  公开号：US08883796B2

  公开（公告）日：2014-11-11

  Provided are biphenyl derivatives exhibiting activity towards central nervous system diseases by acting on the 5-HT7 receptor, pharmaceutically acceptable salts thereof, a method for preparing the compounds and pharmaceutical compositions including the compounds as an active ingredient.

  提供了对中枢神经系统疾病具有活性的双苯衍生物，通过作用于5-HT7受体，其药学上可接受的盐，制备这些化合物的方法以及包括这些化合物作为活性成分的制药组合物。
• PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2763528B1

  公开（公告）日：2018-07-04
• COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE
  申请人：Bayer CropScience AG

  公开号：US20160262401A1

  公开（公告）日：2016-09-15

  The present invention relates to a composition comprising at least one biological control agent selected from the group consisting of Bacillus chitinosporus AQ746 (NRRL Accession No. B-21618), Bacillus mycoides AQ726 (NRRL Accession No. B-21664), Bacillus purnilus (NRRL Accession No. B-30087), Bacillus purnilus AQ717 (NRRL Accession No. B-21662), Bacillus sp. AQ175 (ATCC Accession No. 55608), Bacillus sp. AQ177 (ATCC Accession No. 55609), Bacillus sp. AQ178 (ATCC Accession No. 53522), Bacillus subtilis AQ743 (NRRL Accession No. B-21665), Bacillus subtilis AQ713 (NRRL Accession No. B-21661), Bacillus subtilis AQ153 (ATCC Accession No. 55614), Bacillus thuringiensis BD#32 (NRRL Accession No. B-21530), Bacillus thuringiensis AQ52 (NRRL Accession No. B-21619), Muscodor albus 620 (NRRL Accession No. 30547), Muscodor roseus A3-5 (NRRL Accession No. 30548), Rhodococcus globerulus AQ719 (NRRL Accession No. B-21663), Streptomyces galbus (NRRL Accession No. 30232), Streptomyces sp. (NRRL Accession No. B-30145), Bacillus thuringiensis subspec. kurstaki BMP 123, Bacillus subtilis AQ30002 (NRRL Accession No. B-50421), and Bacillus subtilis AQ 30004 (NRRL Accession No. B-50455) and/or a mutant of these strains having all the identifying characteristics of the respective strain, and/or a metabolite produced by the respective strain that exhibits activity against insects, mites, nematodes and/or phytopathogens and at least one insecticide in a synergistically effective amount, with the proviso that the biological control agent and the insecticide are not identical. Furthermore, the present invention relates to the use of this composition as well as a method for reducing overall damage of plants and plant parts.
• US8883796B2
  申请人：——

  公开号：US8883796B2

  公开（公告）日：2014-11-11