Diisopropyl-phosphoramidous acid (2R,3R,4R,5R)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentyloxy]-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester | 139212-99-0

• 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: Diisopropyl-phosphoramidous acid (2R,3R,4R,5R)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentyloxy]-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
• 英文别名: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[5-(1,3-dioxoisoindol-2-yl)pentoxy]oxolan-2-yl]purin-6-yl]benzamide
• CAS: 139212-99-0
• 化学式: C₆₀H₆₅N₈O₁₀P
• 分子量: 1089.2
• InChiKey: SZPXWJLQDLLXSI-XTSDLNNRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.51
• 重原子数：
  79.0
• 可旋转键数：
  26.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  201.72
• 氢给体数：
  1.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  4,4'-双甲氧基三苯甲基氯 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Diisopropyl-phosphoramidous acid (2R,3R,4R,5R)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentyloxy]-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Novel functionalization of the sugar moiety of nucleic acids for multiple labeling in the minor groove

  摘要：

  The sugar ring of adenosine was alkylated at the 2'-O- position using N-(5-bromopentyl)phthalimide and the modified nucleoside was chemically incorporated into oligonucleotide diesters, thioates and RNA analogs. The free amino group, available after oligonucleotide deprotection, is useful for site-specific introduction of reporter groups and therapeutic agents at the 2'-position. This novel methodology permits multiple labeling of nucleic acids in the minor groove.

  DOI：

  10.1016/0040-4039(91)80468-l