N-[9-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-8-(3-tert-butyldisulfanyl-propyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-isobutyramide | 192317-02-5

• 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: N-[9-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-8-(3-tert-butyldisulfanyl-propyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-isobutyramide
• CAS: 192317-02-5
• 化学式: C₂₇H₄₇N₅O₆S₂Si
• 分子量: 629.918
• InChiKey: CITFHSQFRXIVGY-UFRIGAJXSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  41.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  151.59
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  N-[9-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-8-(3-tert-butyldisulfanyl-propyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-isobutyramide 在 N,N-二异丙基乙胺 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of guanosine analogs bearing pendant alkylthiol tethers

  摘要：

  Synthesis of three guanosine monomers substituted with alkylthiol chains at either carbon-8 or the 2'-hydroxyI is described. The ready accessibility of these monomers will facilitate the use of disulfide cross-links to study the Folding and dynamics of RNA and will also provide loci for conjugation of reporter groups. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00868-x
• 作为产物：
  描述：

  N-{8-(3-tert-Butyldisulfanyl-propyl)-9-[(4aR,6R,7R,7aR)-2,2-di-tert-butyl-7-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-isobutyramide 在 tri-n-butylamine hydrofluoride 作用下， 以 四氢呋喃 为溶剂， 以87%的产率得到N-[9-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-8-(3-tert-butyldisulfanyl-propyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-isobutyramide
  参考文献：
  名称：

  Synthesis of guanosine analogs bearing pendant alkylthiol tethers

  摘要：

  Synthesis of three guanosine monomers substituted with alkylthiol chains at either carbon-8 or the 2'-hydroxyI is described. The ready accessibility of these monomers will facilitate the use of disulfide cross-links to study the Folding and dynamics of RNA and will also provide loci for conjugation of reporter groups. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00868-x