tert-butyl N-[2-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]phenyl]carbamate | 169243-63-4

• 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: tert-butyl N-[2-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]phenyl]carbamate
• CAS: 169243-63-4
• 化学式: C₄₁H₄₃N₃O₉
• 分子量: 721.807
• InChiKey: NRJUPRUXRSKIKO-LIVOIKKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  53.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  150.34
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]phenyl]carbamate 在 4-二甲氨基吡啶 、 2,4,6-三甲基苯磺酰氯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 叔丁胺 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 3-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)-methyl)-4-hydroxytetrahydrofuran-2-yl)-3,9-dihydro-2H-pyrimido-[4,5-b]indol-2-one
  参考文献：
  名称：

  Hybridization properties of oligonucleotides bearing a tricyclic 2′-deoxycytidine analog based on a carbazole ring system

  摘要：

  A tricyclic carbazole-like 2'-deoxycytidine analog has been synthesized via a Stille biaryl coupling on 5-iodo-2'-deoxyuridine followed by cyclization. The carbazole nucleoside was incorporated in oligonucleotides (ONs) and shown to pair specifically with guanine. Duplexes resulting from the carbazole analog ONs and complementary RNA have elevated T(m)s especially when the carbazole nucleosides are clustered. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0040-4039(96)01016-7
• 作为产物：
  描述：

  碘苷 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[2-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]phenyl]carbamate
  参考文献：
  名称：

  Hybridization properties of oligonucleotides bearing a tricyclic 2′-deoxycytidine analog based on a carbazole ring system

  摘要：

  A tricyclic carbazole-like 2'-deoxycytidine analog has been synthesized via a Stille biaryl coupling on 5-iodo-2'-deoxyuridine followed by cyclization. The carbazole nucleoside was incorporated in oligonucleotides (ONs) and shown to pair specifically with guanine. Duplexes resulting from the carbazole analog ONs and complementary RNA have elevated T(m)s especially when the carbazole nucleosides are clustered. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0040-4039(96)01016-7