2-N-(1-adamantyl)-4-N-cycloheptyl-6-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine | 1018479-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-N-(1-adamantyl)-4-N-cycloheptyl-6-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
• CAS: 1018479-05-4
• 化学式: C₂₇H₄₅N₇
• 分子量: 467.701
• InChiKey: GMTQJAATUOQEJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  环庚胺 、 N-甲基-2-(2-氨乙基)-吡咯烷 、 2-(1-adamantanamino)-4,6-dichloro-s-triazine 生成 2-N-(1-adamantyl)-4-N-cycloheptyl-6-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 1,3,5-triazine derivatives as antimicrobial agents

  摘要：

  Numerous studies have contributed to the development of natural and synthetic antimicrobial peptides as a prospective source of antibiotic agents. Based on the concept that cationic charge, bulk, and lipophilicity are major factors determining antibacterial activity in these peptides, we designed and screened several combinatorial libraries based on 1,3,5-triazine as a template. A set of compounds were identified to show potent antimicrobial activity together with low hemolytic activity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.031

文献信息

• s-Triazine compounds, pharmaceutical compositions and method of using the same
  申请人：Kallenbach Neville Robert

  公开号：US20090325966A1

  公开（公告）日：2009-12-31

  Novel s-triazine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, where microbial infection is either a direct cause or a related condition.
• US8163748B2
  申请人：——

  公开号：US8163748B2

  公开（公告）日：2012-04-24
• Synthesis and biological evaluation of novel 1,3,5-triazine derivatives as antimicrobial agents
  作者：Chunhui Zhou、Jaeki Min、Zhigang Liu、Anne Young、Heather Deshazer、Tian Gao、Young-Tae Chang、Neville R. Kallenbach

  DOI：10.1016/j.bmcl.2008.01.031

  日期：2008.2

  Numerous studies have contributed to the development of natural and synthetic antimicrobial peptides as a prospective source of antibiotic agents. Based on the concept that cationic charge, bulk, and lipophilicity are major factors determining antibacterial activity in these peptides, we designed and screened several combinatorial libraries based on 1,3,5-triazine as a template. A set of compounds were identified to show potent antimicrobial activity together with low hemolytic activity. (c) 2008 Elsevier Ltd. All rights reserved.