bis(4-nitrophenyl)(((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl)) bis(carbonate) | 669013-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(4-nitrophenyl)(((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl)) bis(carbonate)
• 英文别名: PEG4-Bis-nitrophenyl carbonate；2-[2-[2-[2-(4-nitrophenoxy)carbonyloxyethoxy]ethoxy]ethoxy]ethyl (4-nitrophenyl) carbonate
• CAS: 669013-00-7
• 化学式: C₂₂H₂₄N₂O₁₃
• 分子量: 524.438
• InChiKey: NRVIBWIRPCJMFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  190
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  bis(4-nitrophenyl)(((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl)) bis(carbonate) 在 4-二甲氨基吡啶 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 25.0h， 生成 2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethyl N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]carbamate
  参考文献：
  名称：

  The First Direct Evaluation of the Two-Active Site Mechanism for Chitin Synthase

  摘要：

  Chitin synthase polymerizes UDP-GlcNAc to form chitin (poly-beta(1,4)-G1cNAc) and is essential for fungal cell wall biosynthesis. The alternating orientation of the GlcNAc residues within the chitin chain has led to the proposal that chitin synthase possesses two active sites. We report the results of the first direct test of this possibility. Two simple uridine-derived dimeric inhibitors are shown to exhibit 10-fold greater inhibition than a monomeric control, consistent with the presence of two active sites. This observation has important implications for the development of antifungal agents, as well as the understanding of polymerizing glycosyltransferases.

  DOI：

  10.1021/jo035100c
• 作为产物：
  描述：

  三缩四乙二醇 、 对硝基苯基氯甲酸酯 在 吡啶 作用下， 反应 21.0h， 以61%的产率得到bis(4-nitrophenyl)(((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl)) bis(carbonate)
  参考文献：
  名称：

  The First Direct Evaluation of the Two-Active Site Mechanism for Chitin Synthase

  摘要：

  Chitin synthase polymerizes UDP-GlcNAc to form chitin (poly-beta(1,4)-G1cNAc) and is essential for fungal cell wall biosynthesis. The alternating orientation of the GlcNAc residues within the chitin chain has led to the proposal that chitin synthase possesses two active sites. We report the results of the first direct test of this possibility. Two simple uridine-derived dimeric inhibitors are shown to exhibit 10-fold greater inhibition than a monomeric control, consistent with the presence of two active sites. This observation has important implications for the development of antifungal agents, as well as the understanding of polymerizing glycosyltransferases.

  DOI：

  10.1021/jo035100c

文献信息

• Development of an enzymatic pretargeting strategy for dual-modality imaging
  作者：J. C. Knight、M. Mosley、M. R. L. Stratford、H. T. Uyeda、H. A. Benink、M. Cong、F. Fan、S. Faulkner、B. Cornelissen

  DOI：10.1039/c4cc10265g

  日期：——

  An in vitro pretargeted imaging strategy based on the HaloTag enzyme is described. Dual-modality (SPECT and optical) HaloTag ligands enable the detection of HER2 expression.

  描述了一种基于HaloTag酶的in vitro预定位成像策略。双模式（SPECT和光学）的HaloTag配体可以检测HER2表达。