4-morpholin-4-yl-1-β-D-ribofuranosyl-1H-pyrimidin-2-one | 39824-59-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-morpholin-4-yl-1-β-D-ribofuranosyl-1H-pyrimidin-2-one
• 英文别名: 1-(β-D-ribofuranosyl)-2-oxo-4-morpholino-1,2-dihydro-1,3-diazine；1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-morpholin-4-ylpyrimidin-2-one
• CAS: 39824-59-4
• 化学式: C₁₃H₁₉N₃O₆
• 分子量: 313.31
• InChiKey: LEFWDKOHIIIMGP-HJQYOEGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-morpholin-4-yl-1-β-D-ribofuranosyl-1H-pyrimidin-2-one 生成 [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-morpholin-4-yl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  参考文献：
  名称：

  4-Substituted Uridine 5′-Triphosphates as Agonists of the P_2Y2Purinergic Receptor

  摘要：

  Uridine 5'-O-triphosphate (UTP) is a potent agonist of the purinergic receptor designated P-2Y2. UTP is rapidly metabolized in human tissue. To find a compound with similar activity that may be more slowly metabolized, a series of 4-substituted uridine 5'-triphosphates were prepared and evaluated in a P-2Y2 receptor second messenger assay.

  DOI：

  10.1080/07328319708006141
• 作为产物：
  描述：

  尿嘧啶核苷 在 4-氯苯基二氯磷酸酯 作用下， 以 吡啶 、 ammonium hydroxide 、 乙醇 为溶剂， 反应 21.0h， 生成 4-morpholin-4-yl-1-β-D-ribofuranosyl-1H-pyrimidin-2-one
  参考文献：
  名称：

  4-Substituted Uridine 5′-Triphosphates as Agonists of the P_2Y2Purinergic Receptor

  摘要：

  Uridine 5'-O-triphosphate (UTP) is a potent agonist of the purinergic receptor designated P-2Y2. UTP is rapidly metabolized in human tissue. To find a compound with similar activity that may be more slowly metabolized, a series of 4-substituted uridine 5'-triphosphates were prepared and evaluated in a P-2Y2 receptor second messenger assay.

  DOI：

  10.1080/07328319708006141

文献信息

• US4169943A
  申请人：——

  公开号：US4169943A

  公开（公告）日：1979-10-02