2',3'-O-isopropylidene-N6-methyladenosine-8-methyl-(8(1)->5'-S)-2',3'-O-isopropylidene-5'-thiouridine | 1184837-85-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2',3'-O-isopropylidene-N6-methyladenosine-8-methyl-(8(1)->5'-S)-2',3'-O-isopropylidene-5'-thiouridine
• 英文别名: 1-[(3aR,4R,6S,6aS)-6-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(methylamino)purin-8-yl]methylsulfanylmethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
• CAS: 1184837-85-1
• 化学式: C₂₇H₃₅N₇O₉S
• 分子量: 633.682
• InChiKey: DQYTWEWYPLDVIZ-XHHSBUFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  206
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  5'-O-[dimethyl(1,1,2-trimethylpropyl)silyl]-2',3'-O-isopropylidene-N6-methyladenosine-8-methyl-(8(1)->5'-S)-2',3'-O-isopropylidene-5'-thiouridine 在 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到2',3'-O-isopropylidene-N6-methyladenosine-8-methyl-(8(1)->5'-S)-2',3'-O-isopropylidene-5'-thiouridine
  参考文献：
  名称：

  具有整合的碱基和骨干的寡核苷酸类似物。第21章

  摘要：

  Abstractmagnified imageGelation of organic solvents by the A*[s]U(*) dinucleosides 1 and 2 requires the formation of linear associates cross‐linked by H‐bonding involving either the nucleobase or HOCH2C(6/I). This is evidenced by the absence of gel formation of the N6‐methyladenosine analogue 5 of 1 and the dehydroxy analogue 4 of 2.

  DOI：

  10.1002/hlca.200900075

文献信息

• Oligonucleotide Analogues with Integrated Bases and Backbone. Part 21
  作者：Nicolas Bogliotti、Andrea Vasella

  DOI：10.1002/hlca.200900075

  日期：2009.6

  Abstractmagnified imageGelation of organic solvents by the A*[s]U(*) dinucleosides 1 and 2 requires the formation of linear associates cross‐linked by H‐bonding involving either the nucleobase or HOCH2C(6/I). This is evidenced by the absence of gel formation of the N6‐methyladenosine analogue 5 of 1 and the dehydroxy analogue 4 of 2.