dTp(CH3)dU | 134982-59-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: dTp(CH3)dU
• CAS: 134982-59-5
• 化学式: C₂₀H₂₇N₄O₁₂P
• 分子量: 546.428
• InChiKey: QHKBCBYQEGRJDD-JIBDBPBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.52
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  213.4
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  dTp(CH3)dU 在 苯乙酮 作用下， 以 水 、 乙腈 为溶剂， 反应 8.0h， 以64%的产率得到dTp(CH3)dU
  参考文献：
  名称：

  Unraveling the origin of the major mutation induced by ultraviolet light, the C→T transition at dTpdC sites. A DNA synthesis building block for the cis-syn cyclobutane dimer of dTpdU.

  摘要：

  One possible origin of the major mutation induced by ultraviolet light, the C --> T transition at dTpdC sites, involves the replicative bypass of the cyclobutane dimer of dTpdC or its deamination product, the cis-syn dimer of dTpdU. In order to investigate the latter proposal, we have designed and synthesized a building block for the incorporation of the cis-syn dTpdU dimer into oligonucleotides by automated solid phase DNA synthesis technology.

  DOI：

  10.1016/s0040-4020(01)81791-9
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 、 sodium hydride 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 16.75h， 生成 dTp(CH3)dU
  参考文献：
  名称：

  Unraveling the origin of the major mutation induced by ultraviolet light, the C→T transition at dTpdC sites. A DNA synthesis building block for the cis-syn cyclobutane dimer of dTpdU.

  摘要：

  One possible origin of the major mutation induced by ultraviolet light, the C --> T transition at dTpdC sites, involves the replicative bypass of the cyclobutane dimer of dTpdC or its deamination product, the cis-syn dimer of dTpdU. In order to investigate the latter proposal, we have designed and synthesized a building block for the incorporation of the cis-syn dTpdU dimer into oligonucleotides by automated solid phase DNA synthesis technology.

  DOI：

  10.1016/s0040-4020(01)81791-9