9,9'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(2-amino-1H-purin-6(9H)-one) | 1427194-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9,9'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(2-amino-1H-purin-6(9H)-one)
• 英文别名: 2-amino-9-[4-(2-amino-6-oxo-1H-purin-9-yl)-6-chloro-1,3,5-triazin-2-yl]-1H-purin-6-one
• CAS: 1427194-27-1
• 化学式: C₁₃H₈ClN₁₃O₂
• 分子量: 413.745
• InChiKey: LAYQIUACVTXZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  209
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  三聚氯氰 、 鸟嘌呤 在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 20.0h， 以57%的产率得到9,9'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(2-amino-1H-purin-6(9H)-one)
  参考文献：
  名称：

  Synthesis, spectral characterization and antimicrobial studies of novel s-triazine derivatives

  摘要：

  A series of fifteen novel triazinyl derivatives, with various natural nucleobases by mono, di and tri substitution in cyanuric chloride at the 2,4- and/or 6-positions was synthesized. Target molecules were synthesized by stoichiometric addition of various nucleophiles to cyanuric chloride in the presence of suitable base. The structural characterizations of all the compounds were made by spectral and analytical techniques, IR, H-1 NMR, C-13 NMR, and 2D NMR (HSQC, HMBC), mass spectral and elemental analysis. All the synthesized compounds were screened for in vitro antimicrobial activity against a panel of selected bacterial and fungal strains using Streptomycin and Amphotericin B as standards. The minimum inhibition concentration (MIC) results revealed that most of the purine (1a-2a, 1b-2b, and 1c-2c) compounds exhibit excellent activity against selected bacterial and fungal strains. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.12.046

文献信息

• Synthesis, spectral characterization and antimicrobial studies of novel s-triazine derivatives
  作者：M. Shanmugam、K. Narayanan、V. Chidambaranathan、S. Kabilan

  DOI：10.1016/j.saa.2012.12.046

  日期：2013.3

  A series of fifteen novel triazinyl derivatives, with various natural nucleobases by mono, di and tri substitution in cyanuric chloride at the 2,4- and/or 6-positions was synthesized. Target molecules were synthesized by stoichiometric addition of various nucleophiles to cyanuric chloride in the presence of suitable base. The structural characterizations of all the compounds were made by spectral and analytical techniques, IR, H-1 NMR, C-13 NMR, and 2D NMR (HSQC, HMBC), mass spectral and elemental analysis. All the synthesized compounds were screened for in vitro antimicrobial activity against a panel of selected bacterial and fungal strains using Streptomycin and Amphotericin B as standards. The minimum inhibition concentration (MIC) results revealed that most of the purine (1a-2a, 1b-2b, and 1c-2c) compounds exhibit excellent activity against selected bacterial and fungal strains. (C) 2012 Elsevier B.V. All rights reserved.