Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(4-morpholin-4-yl-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester | 111426-19-8

• 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: Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(4-morpholin-4-yl-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
• 英文别名: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4-morpholin-4-yl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
• CAS: 111426-19-8
• 化学式: C₁₉H₂₅N₃O₉
• 分子量: 439.422
• InChiKey: JWYYKFAPHLRHAU-VDHUWJSZSA-N

物化性质

• 沸点：
  558.2±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(4-morpholin-4-yl-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 以 ammonium hydroxide 为溶剂， 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
• 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 、 乙醇 为溶剂， 反应 21.0h， 生成 Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(4-morpholin-4-yl-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
  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

• Zhou; Welch; Chattopadhyaya, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 10, p. 806 - 816
  作者：Zhou、Welch、Chattopadhyaya

  DOI：——

  日期：——