Naphthalene-1-carboxylic acid {1-[(2R,4S,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-iodo-2-oxo-1,2-dihydro-pyrimidin-4-yl}-(naphthalene-1-carbonyl)-amide | 610303-48-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: Naphthalene-1-carboxylic acid {1-[(2R,4S,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-iodo-2-oxo-1,2-dihydro-pyrimidin-4-yl}-(naphthalene-1-carbonyl)-amide
• 英文别名: N-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N-(naphthalene-1-carbonyl)naphthalene-1-carboxamide
• CAS: 610303-48-5
• 化学式: C₄₃H₅₂IN₃O₆Si₂
• 分子量: 889.978
• InChiKey: IATYKUQUPHCJGP-HKIDPNTFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.34
• 重原子数：
  55
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Naphthalene-1-carboxylic acid {1-[(2R,4S,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-iodo-2-oxo-1,2-dihydro-pyrimidin-4-yl}-(naphthalene-1-carbonyl)-amide 在 甲醇 、 ammonium hydroxide 、 氯仿 、 四丁基氟化铵 、 methyloxirane 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 20.12h， 生成 3-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3H,12H-1,3,12-triaza-chrysene-2,11-dione
  参考文献：
  名称：

  Synthesis and properties of a novel fluorescent nucleobase, naphthopyridopyrimidine

  摘要：

  A new base-discriminating fluorescent nucleoside, NPP, that can sharply distinguish between A and G bases opposite NPP is described. The hybridization of an ODN probe containing NPP with a target DNA facilitates the judgment of the type of purine base located at a specific site on the target DNA. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01740-4
• 作为产物：
  描述：

  5-碘-2'-脱氧胞苷 在 吡啶 、 咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 Naphthalene-1-carboxylic acid {1-[(2R,4S,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-iodo-2-oxo-1,2-dihydro-pyrimidin-4-yl}-(naphthalene-1-carbonyl)-amide
  参考文献：
  名称：

  Synthesis and properties of a novel fluorescent nucleobase, naphthopyridopyrimidine

  摘要：

  A new base-discriminating fluorescent nucleoside, NPP, that can sharply distinguish between A and G bases opposite NPP is described. The hybridization of an ODN probe containing NPP with a target DNA facilitates the judgment of the type of purine base located at a specific site on the target DNA. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01740-4