dTPT3TP | 1472655-21-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: dTPT3TP
• 英文别名: ((2R,3S,5R)-3-Hydroxy-5-(7-thioxothieno[2,3-c]pyridin-6(7H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate；[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(7-sulfanylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
• CAS: 1472655-21-2
• 化学式: C₁₂H₁₆NO₁₂P₃S₂
• 分子量: 523.312
• InChiKey: DYCHFPNIHWUDHY-IVZWLZJFSA-N

物化性质

• 沸点：
  810.0±75.0 °C(Predicted)
• 密度：
  1.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  253
• 氢给体数：
  5
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  ((2R,3S,5R)-3-((4-methylbenzoyl)oxy)-5-(7-oxothieno[2,3-c]pyridin-6(7H)-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate 在 劳森试剂 、 磷酸三甲酯 、 甲醇 、 sodium methylate 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 反应 3.5h， 生成 dTPT3TP
  参考文献：
  名称：

  Natural-like Replication of an Unnatural Base Pair for the Expansion of the Genetic Alphabet and Biotechnology Applications

  摘要：

  We synthesized a panel of unnatural base pairs whose pairing depends on hydrophobic and packing forces and identify dTPT3-dNaM, which is PCR amplified with a natural base pair-like efficiency and fidelity. In addition, the dTPT3 scaffold is uniquely tolerant of attaching a propargyl amine linker, resulting in the dTPT3(PA)-dNaM pair, which is amplified only slightly less well. The identification of dTPT3 represents significant progress toward developing an unnatural base pair for the in vivo expansion of an organism's genetic alphabet and for a variety of in vitro biotechnology applications where it is used to site-specifically label amplified DNA, and it also demonstrates for the first time that hydrophobic and packing forces are sufficient to mediate natural-like replication.

  DOI：

  10.1021/ja408814g