3'-N(1,2-dimethoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)-amino-3'-deoxythymidine

• 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: 3'-N(1,2-dimethoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)-amino-3'-deoxythymidine
• 英文别名: 1-(10-cyano-1,2-dimethoxy-9-anthryl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea；1-(10-cyano-1,2-dimethoxyanthracen-9-yl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
• 化学式: C₂₈H₂₇N₅O₆S
• 分子量: 561.618
• InChiKey: BGKBRQNYTVJBNW-KSEOMHKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3'-氨基-2',3'-双脱氧胸苷 、 10-isothiocyanato-3,4-dimethoxyanthracene-9-carbonitrile 以 乙醇 为溶剂， 反应 0.75h， 以79%的产率得到3'-N(1,2-dimethoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)-amino-3'-deoxythymidine
  参考文献：
  名称：

  The Synthesis, Fluorescence and Antiviral Studies of 3′-Amino-2′,3′-Dideoxythymidine/substituted 10-Cyano-9-isothiocyanatoanthracene Adducts

  摘要：

  Adducts of 3'-amino-2',3'-dideoxythymidine and various methoxy-substituted 10-cyano-3-isothiocyanatoanthracenes were prepared for use as fluorescent-tagged molecular probes. The thymidine/anthracene adducts were subjected to antiviral assays to determine if the adducts possessed antiviral activity.

  DOI：

  10.1080/15257779408010679

文献信息

• The Synthesis, Fluorescence and Antiviral Studies of 3′-Amino-2′,3′-Dideoxythymidine/substituted 10-Cyano-9-isothiocyanatoanthracene Adducts
  作者：Dan Swartling、Mike Fry、Matt Morgan、Ed Biehl、Jan Balzarini、Erik De Clercq

  DOI：10.1080/15257779408010679

  日期：1994.9

  Adducts of 3'-amino-2',3'-dideoxythymidine and various methoxy-substituted 10-cyano-3-isothiocyanatoanthracenes were prepared for use as fluorescent-tagged molecular probes. The thymidine/anthracene adducts were subjected to antiviral assays to determine if the adducts possessed antiviral activity.