1,N⁶-ethenoadenosine triphosphate | 37482-17-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 1,N⁶-ethenoadenosine triphosphate
• 英文别名: N6-Etheno-ATP；1,n6-Ethenoadenosine 5'-triphosphate；[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 37482-17-0
• 化学式: C₁₂H₁₆N₅O₁₃P₃
• 分子量: 531.206
• InChiKey: BKQZGVPRPNNNDW-WOUKDFQISA-N

物化性质

• 密度：
  2.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  258
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  1,N⁶-ethenoadenosine triphosphate 、 Zn(3,6-dichloropicolinate)2 以 水 为溶剂， 生成 Zn(3,6-dichloropicolinate)2(etheno-adenosine triphosphoric acid)
  参考文献：
  名称：

  Complex formation of some pesticides with adenosine triphosphoric acid

  摘要：

  DOI：

  10.1007/bf00959872
• 作为产物：
  描述：

  N6-Etheno-AMP 在 Meiothermus ruber polyphosphate kinase D₁₂₇S 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成 1,N⁶-ethenoadenosine triphosphate 、 [(2R,3S,4R,5R)-3,4-二羟基-5-咪唑并[2,1-f]嘌呤-3-基四氢呋喃-2-基]甲基膦酰磷酸氢酯
  参考文献：
  名称：

  10.1002/cctc.202400181

  摘要：

  AbstractPolyphosphate kinases (PPKs) are valuable biocatalysts for ATP cofactor regeneration as well as for the phosphorylation of non‐canonical nucleotides. The versatility of PPKs in the latter application is defined by their substrate scope. In this study, we investigate the substrate spectrum of the PPK2‐III enzyme from Meiothermus ruber (MrPPK) for the conversion of canonical and non‐canonical (deoxy)‐ribonucleotides. The enzyme shows high substrate promiscuity for purine and to minor degree pyrimidine substrates, with an overall preference for the native substrate AMP. With structure guided rational amino acid exchanges in the active site, we produced an MrPPK variant with improved activity for a broad variety of purine nucleotides. While the preference for AMP is lost, conversion of nucleotides without a 6‐amino function at the purine moiety is increased. This MrPPK variant is a versatile biocatalyst for the synthesis of non‐canonical nucleotides and could also be useful as a GTP cofactor regeneration system.

  DOI：

  10.1002/cctc.202400181

文献信息

• SARATOVSKIX, E. A.;KONDRATEVA, T. A.;PSIXA, B. L.;GVOZDEV, R. I.;KARTSEV,+, IZV. AN CCCP. CEP. XIM.,(1988) N 11, S. 2501-2507
  作者：SARATOVSKIX, E. A.、KONDRATEVA, T. A.、PSIXA, B. L.、GVOZDEV, R. I.、KARTSEV,+

  DOI：——

  日期：——
• Complex formation of some pesticides with adenosine triphosphoric acid
  作者：E. A. Saratovskikh、T. A. Kondrat'eva、B. L. Psikha、R. I. Gvozdev、V. G. Kartsev

  DOI：10.1007/bf00959872

  日期：1988.11