4-aminobutyl triphosphate | 868157-97-5

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 4-aminobutyl triphosphate
• 英文别名: [4-Aminobutoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
• CAS: 868157-97-5
• 化学式: C₄H₁₄NO₁₀P₃
• 分子量: 329.077
• InChiKey: LXRAYJOBMBCRPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.3
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  186
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-(9-fluorenylmethoxycarbonyl)-4-aminobutyl triphosphate 在 ammonium hydroxide 作用下， 反应 18.0h， 以97%的产率得到4-aminobutyl triphosphate
  参考文献：
  名称：

  Synthesis of Novel Alkyl Triphosphates and Their Substrate Properties Toward Terminal Deoxynucleotidyltransferase

  摘要：

  Novel triphosphate derivatives bearing bulky or small groups at alpha-position attached to the triphosphate residue through linkers of different structures and lengths were synthesized and studied as substrates toward terminal deoxynucleotidyltransferase. The substrate efficacy depends on the structure of substituents, linker length, and nature of metal activator. The replacement of hydrophobic groups by small substituents decreased the substrate efficacy by about 20 times in respect to hydrophobic residues. The dependence on metal activator is the following: Co2+ > Mn2+ >> Mg2+. The model of interaction of alkyl triphosphates with linkers of different lengths bearing TdT active site is presented.

  DOI：

  10.1080/15257770701296713