IMB-21 | 1320214-06-9

• 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: IMB-21
• 英文别名: [(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(3-nitrophenyl)carbamate
• CAS: 1320214-06-9
• 化学式: C₂₂H₂₅N₅O₆
• 分子量: 455.47
• InChiKey: PIYZDISLQHJNQD-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (4R,5S)-4-(4-phenylpiperazin-1-ylmethyl)-5-trityloxymethyloxazolidinoxazolidin-2-one 在 盐酸 作用下， 以 水 为溶剂， 生成 IMB-21
  参考文献：
  名称：

  Structure–activity studies of RNA-binding oxazolidinone derivatives

  摘要：

  The structure-activity relationship of a series of oxazolidinones binding to T-box riboswitch antiterminator RNA has been investigated. Oxazolidinones differentially substituted at C-5 were prepared and the ligand-induced fluorescence resonance energy transfer (FRET) changes in FRET-labeled antiterminator model RNA were assayed. Both qualitative and quantitative analysis of the structure-activity relationship indicate that hydrogen bonding and hydrophobic properties play a significant role in ligand binding. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.130

文献信息

• Structure–activity studies of RNA-binding oxazolidinone derivatives
  作者：Iwona Maciagiewicz、Shu Zhou、Stephen C. Bergmeier、Jennifer V. Hines

  DOI：10.1016/j.bmcl.2011.05.130

  日期：2011.8

  The structure-activity relationship of a series of oxazolidinones binding to T-box riboswitch antiterminator RNA has been investigated. Oxazolidinones differentially substituted at C-5 were prepared and the ligand-induced fluorescence resonance energy transfer (FRET) changes in FRET-labeled antiterminator model RNA were assayed. Both qualitative and quantitative analysis of the structure-activity relationship indicate that hydrogen bonding and hydrophobic properties play a significant role in ligand binding. (C) 2011 Elsevier Ltd. All rights reserved.