IMB-18 | 1320214-03-6

• 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-18
• 英文别名: [(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-pentylphenyl)carbamate
• CAS: 1320214-03-6
• 化学式: C₂₇H₃₆N₄O₄
• 分子量: 480.607
• InChiKey: GIHQZUHXJRUSRG-JWQCQUIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (4S,5R)-4-trityloxymethyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one 在 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 18.0h， 生成 IMB-18
  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.