6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-N-(2-hydroxyethyl)hexanamide | 148704-82-9

• 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: 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-N-(2-hydroxyethyl)hexanamide
• CAS: 148704-82-9
• 化学式: C₄₁H₅₄N₄O₇S
• 分子量: 746.968
• InChiKey: QHPFFHDKDITCDU-YFTHYISFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  53
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-N-(2-hydroxyethyl)hexanamide 在 二异丙基铵盐四氮唑 作用下， 以 乙腈 为溶剂， 反应 1.75h， 以65%的产率得到6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]hexanamide
  参考文献：
  名称：

  Reagents for Multiple Non-Radioactive Labelling of Oligonucleotides

  摘要：

  Novel phosphoramidite reagents for nonradioactive polylabelling of oligonucleotides have been developed, including two branching reagents, 4 and 8, and a biotin-containing phosphoramidite 19 which call be used to incorporate a biotin moiety into any position of the oligonucleotide.

  DOI：

  10.1080/00397919608004566
• 作为产物：
  描述：

  芴甲氧羰酰基-6-氨基己酸 在 四氢吡咯 、 吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 28.5h， 生成 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-N-(2-hydroxyethyl)hexanamide
  参考文献：
  名称：

  Reagents for Multiple Non-Radioactive Labelling of Oligonucleotides

  摘要：

  Novel phosphoramidite reagents for nonradioactive polylabelling of oligonucleotides have been developed, including two branching reagents, 4 and 8, and a biotin-containing phosphoramidite 19 which call be used to incorporate a biotin moiety into any position of the oligonucleotide.

  DOI：

  10.1080/00397919608004566

文献信息

• Reagents for Multiple Non-Radioactive Labelling of Oligonucleotides
  作者：Vladimir A. Korshun、Nikolai B. Pestov、Elena V. Nozhevnikova、Igor A. Prokhorenko、Sergei V. Gontarev、Yuri A. Berlin

  DOI：10.1080/00397919608004566

  日期：1996.7

  Novel phosphoramidite reagents for nonradioactive polylabelling of oligonucleotides have been developed, including two branching reagents, 4 and 8, and a biotin-containing phosphoramidite 19 which call be used to incorporate a biotin moiety into any position of the oligonucleotide.