8-巯基-ADP | 59924-55-9

• 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
• 中文名称: 8-巯基-ADP
• 英文名称: 8-mercapto-ADP
• 英文别名: [(2R,3S,4R,5R)-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
• CAS: 59924-55-9
• 化学式: C₁₀H₁₅N₅O₁₀P₂S
• 分子量: 459.27
• InChiKey: MAHPTVZRWCYPQY-UUOKFMHZSA-N

物化性质

• 沸点：
  844.1±75.0 °C(Predicted)
• 密度：
  2.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  262
• 氢给体数：
  7
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  8-巯基-ADP 在 ammonium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 60.0h， 生成 ADP-8-S-HEVS-S-8-dGTP
  参考文献：
  名称：

  Synthesis and biological activity of a bivalent nucleotide inhibitor of ribonucleotide reductase

  摘要：

  A novel nucleotide inhibitor (ADP-S-HBES-S-dGTP) of mouse ribonucleotide reductase was designed to span the active site and the allosteric specificity site of the enzyme. The inhibitor contains ADP and dGTP moieties which are linked by 1,6-hexane-(bis-ethylenesulfone), and has a K-i value of 12 muM. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00481-9
• 作为产物：
  描述：

  二磷酸腺苷 在 sodium hydrogensulfide 、 溴 作用下， 生成 8-巯基-ADP
  参考文献：
  名称：

  Synthesis and biological activity of a bivalent nucleotide inhibitor of ribonucleotide reductase

  摘要：

  A novel nucleotide inhibitor (ADP-S-HBES-S-dGTP) of mouse ribonucleotide reductase was designed to span the active site and the allosteric specificity site of the enzyme. The inhibitor contains ADP and dGTP moieties which are linked by 1,6-hexane-(bis-ethylenesulfone), and has a K-i value of 12 muM. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00481-9

文献信息

• Synthesis and biological activity of a bivalent nucleotide inhibitor of ribonucleotide reductase
  作者：Xu Wu、Barry S Cooperman

  DOI：10.1016/s0960-894x(00)00481-9

  日期：2000.10

  A novel nucleotide inhibitor (ADP-S-HBES-S-dGTP) of mouse ribonucleotide reductase was designed to span the active site and the allosteric specificity site of the enzyme. The inhibitor contains ADP and dGTP moieties which are linked by 1,6-hexane-(bis-ethylenesulfone), and has a K-i value of 12 muM. (C) 2000 Elsevier Science Ltd. All rights reserved.