(R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine | 1229806-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine
• 英文别名: (2R)-1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
• CAS: 1229806-66-9
• 化学式: C₂₄H₃₄N₆
• 分子量: 406.574
• InChiKey: SRPDIFMIAVWTAJ-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  73.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1-trityl-1H-imidazol-2-yl)ethyl)phenyl)piperidine-2-carboxamide 、 N,N-二甲基甲酰胺二乙基缩醛 在 溶剂黄146 、 肼 作用下， 以24%的产率得到(R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine
  参考文献：
  名称：

  Synthesis and SAR of heterocyclic carboxylic acid isosteres based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity

  摘要：

  SAR around non-peptidic potent bombesin receptor subtype-3 (BRS-3) agonist lead 2 is presented. Attempts to replace the carboxylic acid with heterocyclic isosteres to improve oral bioavailability and brain penetration are described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.028

文献信息

• Synthesis and SAR of heterocyclic carboxylic acid isosteres based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity
  作者：Mark Hadden、Allan Goodman、Cheng Guo、Peter R. Guzzo、Alan J. Henderson、Kevin Pattamana、Megan Ruenz、Bruce J. Sargent、Brian Swenson、Larry Yet、Jian Liu、Shuwen He、Iyassu K. Sebhat、Linus S. Lin、Constantin Tamvakopoulos、Qianping Peng、Yanqing Kan、Oksana Palyha、Theresa M. Kelly、Xiao-Ming Guan、Joseph M. Metzger、Marc L. Reitman、Ravi P. Nargund

  DOI：10.1016/j.bmcl.2010.03.028

  日期：2010.5

  SAR around non-peptidic potent bombesin receptor subtype-3 (BRS-3) agonist lead 2 is presented. Attempts to replace the carboxylic acid with heterocyclic isosteres to improve oral bioavailability and brain penetration are described. (C) 2010 Elsevier Ltd. All rights reserved.