(3S,5R)-1-(4-bromobenzyl)-3,5-dimethylpiperazine | 1094173-00-8

• 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: (3S,5R)-1-(4-bromobenzyl)-3,5-dimethylpiperazine
• 英文别名: (3R,5S)-1-[(4-bromophenyl)methyl]-3,5-dimethylpiperazine
• CAS: 1094173-00-8
• 化学式: C₁₃H₁₉BrN₂
• 分子量: 283.211
• InChiKey: ZAAATXQDWOKDSU-PHIMTYICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3S,5R)-1-(4-bromobenzyl)-3,5-dimethylpiperazine 、 2-甲酰基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 以90%的产率得到4'-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)-[1,1'-biphenyl]-2-carbaldehyde
  参考文献：
  名称：

  The discovery of biaryl carboxamides as novel small molecule agonists of the motilin receptor

  摘要：

  Optimisation of urea (5), identified from high throughput screening and subsequent array chemistry, has resulted in the identification of pyridine carboxamide (33) which is a potent motilin receptor agonist possessing favourable physicochemical and ADME profiles. Compound (33) has demonstrated prokinetic-like activity both in vitro and in vivo in the rabbit and therefore represents a promising novel small molecule motilin receptor agonist for further evaluation as a gastroprokinetic agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.072
• 作为产物：
  描述：

  对溴苯甲醛 、 2,6-dimethylpiperazine 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到(3S,5R)-1-(4-bromobenzyl)-3,5-dimethylpiperazine
  参考文献：
  名称：

  The discovery of biaryl carboxamides as novel small molecule agonists of the motilin receptor

  摘要：

  Optimisation of urea (5), identified from high throughput screening and subsequent array chemistry, has resulted in the identification of pyridine carboxamide (33) which is a potent motilin receptor agonist possessing favourable physicochemical and ADME profiles. Compound (33) has demonstrated prokinetic-like activity both in vitro and in vivo in the rabbit and therefore represents a promising novel small molecule motilin receptor agonist for further evaluation as a gastroprokinetic agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.072

文献信息

• [EN] PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME<br/>[FR] INHIBITEURS DE PLK4 ET MÉTHODE DE TRAITEMENT DU CANCER À L'AIDE DE CEUX-CI
  申请人：UNIV HEALTH NETWORK

  公开号：WO2012048411A1

  公开（公告）日：2012-04-19

  The invention is directed to a compound represented by the following Structural Formula (I) and (II) and pharmaceutically acceptable salts thereof: (Formula (I)); (Formula (IV)). Compounds represented by this structural formula are kinase inhibitors and are, therefore, disclosed herein for the treatment of cancer. Definitions for the variables in the structural formula are provided herein.

  这项发明涉及一种由以下结构式（I）和（II）表示的化合物及其药学上可接受的盐：（结构式（I））；（结构式（IV））。由该结构式表示的化合物是激酶抑制剂，因此在此披露用于癌症治疗。结构式中变量的定义在此提供。
• The discovery of biaryl carboxamides as novel small molecule agonists of the motilin receptor
  作者：Susan M. Westaway、Samantha L. Brown、Elizabeth Conway、Tom D. Heightman、Christopher N. Johnson、Kate Lapsley、Gregor J. Macdonald、David T. MacPherson、Darren J. Mitchell、James W. Myatt、Jon T. Seal、Steven J. Stanway、Geoffrey Stemp、Mervyn Thompson、Paolo Celestini、Andrea Colombo、Alessandra Consonni、Stefania Gagliardi、Mauro Riccaboni、Silvano Ronzoni、Michael A. Briggs、Kim L. Matthews、Alexander J. Stevens、Victoria J. Bolton、Izzy Boyfield、Emma M. Jarvie、Sharon C. Stratton、Gareth J. Sanger

  DOI：10.1016/j.bmcl.2008.10.072

  日期：2008.12

  Optimisation of urea (5), identified from high throughput screening and subsequent array chemistry, has resulted in the identification of pyridine carboxamide (33) which is a potent motilin receptor agonist possessing favourable physicochemical and ADME profiles. Compound (33) has demonstrated prokinetic-like activity both in vitro and in vivo in the rabbit and therefore represents a promising novel small molecule motilin receptor agonist for further evaluation as a gastroprokinetic agent. (C) 2008 Elsevier Ltd. All rights reserved.