N-[3-[1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6R)-2-(azidomethyl)-6-(2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-4-tritylmorpholin-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide | 1552291-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-[3-[1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6R)-2-(azidomethyl)-6-(2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-4-tritylmorpholin-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
• CAS: 1552291-49-2
• 化学式: C₇₆H₈₃F₉N₂₁O₂₁P₃
• 分子量: 1890.53
• InChiKey: DZCCWDTVCNAIJK-NHURXAPYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  130
• 可旋转键数：
  31
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  456
• 氢给体数：
  7
• 氢受体数：
  39

反应信息

• 作为反应物：
  描述：

  N-[3-[1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6R)-2-(azidomethyl)-6-(2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-4-tritylmorpholin-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide 在 溶剂黄146 作用下， 以 2,2,2-三氟乙醇 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Synthesis and cell transfection properties of cationic uracil-morpholino tetramer

  摘要：

  Synthesis and cell transfection properties of guanidinium-functionalized uracil morpholino tetramer have been reported for the first time. Due to the basic nature of guanidinium groups they remain protonated under physiological conditions. Such cationic tetramer exhibits efficient cellular uptake properties as visualized by microscopy imaging using fluorescent dye BODIPY. 7'-End of this morpholino tetramer was functionalized with an azide group for conjugation with various types of biomolecules or drugs for cellular delivery. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.087
• 作为产物：
  描述：

  、 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 N-[3-[1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6R)-2-(azidomethyl)-6-(2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-6-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]morpholin-4-yl]-(dimethylamino)-oxidophosphaniumyl]oxymethyl]-4-tritylmorpholin-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Synthesis and cell transfection properties of cationic uracil-morpholino tetramer

  摘要：

  Synthesis and cell transfection properties of guanidinium-functionalized uracil morpholino tetramer have been reported for the first time. Due to the basic nature of guanidinium groups they remain protonated under physiological conditions. Such cationic tetramer exhibits efficient cellular uptake properties as visualized by microscopy imaging using fluorescent dye BODIPY. 7'-End of this morpholino tetramer was functionalized with an azide group for conjugation with various types of biomolecules or drugs for cellular delivery. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.087

文献信息

• Synthesis and cell transfection properties of cationic uracil-morpholino tetramer
  作者：Sibasish Paul、Sankha Pattanayak、Surajit Sinha

  DOI：10.1016/j.tetlet.2013.12.087

  日期：2014.1

  Synthesis and cell transfection properties of guanidinium-functionalized uracil morpholino tetramer have been reported for the first time. Due to the basic nature of guanidinium groups they remain protonated under physiological conditions. Such cationic tetramer exhibits efficient cellular uptake properties as visualized by microscopy imaging using fluorescent dye BODIPY. 7'-End of this morpholino tetramer was functionalized with an azide group for conjugation with various types of biomolecules or drugs for cellular delivery. (C) 2013 Elsevier Ltd. All rights reserved.