2-[[1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(chloromethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-N-[3-[1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide | 219556-75-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 2-[[1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(chloromethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-N-[3-[1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
• CAS: 219556-75-9
• 化学式: C₄₄H₄₄Cl₂N₆O₁₀
• 分子量: 887.774
• InChiKey: NXKCREACKQZRNF-RQHPVIRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  62
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  190
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-[[1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(chloromethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-N-[3-[1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide 在 吡啶 、 2-氯-1,3,2-苯并二氧磷杂环己烷-4-酮 、 三乙基碳酸氢铵缓冲液 作用下， 生成
  参考文献：
  名称：

  Modified oligonucleotides with a 5′-5′ interbase semi-rigid junction for alternate strand triplex formation

  摘要：

  Solid-phase synthesis of 5'-5'-linked oligonucleotides with opposite polarities tethered via nucleic bases has been performed using a modified dinucleoside bearing an H-phosphonate group at the 3'-position of one nucleoside and a dimethoxytrityl group-at the 3'-position of the second nucleoside. This system is aimed at forming a base tetrad at the junction in order to provide better stabilization. The linker used between the two 5'-terminal bases in the same plane involves a triple bond in order to rigidify the junction. The two oligonucleotide :chains are either made of natural nucleosides or one of them is built With N3' -->P5' phosphoramidates. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02035-8
• 作为产物：
  描述：

  5'-chloro-2',5'-dideoxyuridine 在 四(三苯基膦)钯 吡啶 、 copper(l) iodide 、 TEA 、 水 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 3-硝基-1,2,4-三氮唑 、 N,N'-二环己基碳二亚胺 、 三氯氧磷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[[1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(chloromethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-N-[3-[1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
  参考文献：
  名称：

  Modified oligonucleotides with a 5′-5′ interbase semi-rigid junction for alternate strand triplex formation

  摘要：

  Solid-phase synthesis of 5'-5'-linked oligonucleotides with opposite polarities tethered via nucleic bases has been performed using a modified dinucleoside bearing an H-phosphonate group at the 3'-position of one nucleoside and a dimethoxytrityl group-at the 3'-position of the second nucleoside. This system is aimed at forming a base tetrad at the junction in order to provide better stabilization. The linker used between the two 5'-terminal bases in the same plane involves a triple bond in order to rigidify the junction. The two oligonucleotide :chains are either made of natural nucleosides or one of them is built With N3' -->P5' phosphoramidates. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02035-8