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二氟尼柳葡糖苷酸酯 | 58446-30-3

中文名称
二氟尼柳葡糖苷酸酯
中文别名
——
英文名称
Diflunisal acyl glucuronide
英文别名
Diflunisal glucuronide ester;(2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
二氟尼柳葡糖苷酸酯化学式
CAS
58446-30-3
化学式
C19H16F2O9
mdl
——
分子量
426.327
InChiKey
HDNSISKAKJZJPR-NAHJCDBISA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    653.0±55.0 °C(Predicted)
  • 密度:
    1.70±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.9
  • 重原子数:
    30
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.26
  • 拓扑面积:
    154
  • 氢给体数:
    5
  • 氢受体数:
    11

SDS

SDS:08dd45228f3ede989fdc362f2bee677c
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反应信息

  • 作为产物:
    参考文献:
    名称:
    Glucuronidation of diflunisal in liver and kidney microsomes of rat and man
    摘要:
    1. The glucuronidation of diflunisal to its phenolic (DPG) and acyl glucuronide (DAG) was measured in vitro using microsomes prepared from rat (n=4) and human (n=6) liver and kidney tissue. UGT activities towards bilirubin, 4-nitrophenol and (-)-morphine were also determined.2. beta-Glucuronidase activity towards phenolphthalein glucuronide was much lower in microsomes prepared from human liver (45.2+/-3.1 Fishman Units/mg protein), human kidney (22.0+/-3.3 FU/mg), and rat kidney (25.1+/-2.5 FU/mg) as compared with rat liver (118.7+/-8.8 FU/mg).3. The formation rate of DAG significantly increased when saccharo-1,4-lactone, a beta-glucuronidase inhibitor, was added to the rat liver microsomal incubation medium. beta-Glucuronidase inhibition, however, had little effect on the formation rate of DAG in human liver microsomes, and no effect in rat and human kidney microsomes. The formation of DPC was not affected by the microsomal beta-glucuronidase activity.4. Unlike rat kidney microsomes, which only formed DAG, human kidney microsomes formed both diflunisal glucuronides. Formation of both diflunisal glucuronides in human kidney microsomes (V-max = 0.97+/-0.21 and 0.27+/-0.07 nmol/min/mg for formation of DAG and DPG respectively) represented 60-70% of the activity found in liver microsomes (V-max = 1.58+/-0.32 and 0.40+/-0.08 nmol/min/mg for formation of DAG and DPG respectively).5. These results demonstrate that the in vitro glucuronidation rate of diflunisal may be affected by the microsomal beta-glucuronidase activity particularly when using rat liver microsomes. Our results also demonstrate that the human kidney has an important UGT-activity towards diflunisal.
    DOI:
    10.3109/00498259609046694
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文献信息

  • Glucuronidation of diflunisal in liver and kidney microsomes of rat and man
    作者:F. M. Brunelle、R. K. Verbeeck
    DOI:10.3109/00498259609046694
    日期:1996.1
    1. The glucuronidation of diflunisal to its phenolic (DPG) and acyl glucuronide (DAG) was measured in vitro using microsomes prepared from rat (n=4) and human (n=6) liver and kidney tissue. UGT activities towards bilirubin, 4-nitrophenol and (-)-morphine were also determined.2. beta-Glucuronidase activity towards phenolphthalein glucuronide was much lower in microsomes prepared from human liver (45.2+/-3.1 Fishman Units/mg protein), human kidney (22.0+/-3.3 FU/mg), and rat kidney (25.1+/-2.5 FU/mg) as compared with rat liver (118.7+/-8.8 FU/mg).3. The formation rate of DAG significantly increased when saccharo-1,4-lactone, a beta-glucuronidase inhibitor, was added to the rat liver microsomal incubation medium. beta-Glucuronidase inhibition, however, had little effect on the formation rate of DAG in human liver microsomes, and no effect in rat and human kidney microsomes. The formation of DPC was not affected by the microsomal beta-glucuronidase activity.4. Unlike rat kidney microsomes, which only formed DAG, human kidney microsomes formed both diflunisal glucuronides. Formation of both diflunisal glucuronides in human kidney microsomes (V-max = 0.97+/-0.21 and 0.27+/-0.07 nmol/min/mg for formation of DAG and DPG respectively) represented 60-70% of the activity found in liver microsomes (V-max = 1.58+/-0.32 and 0.40+/-0.08 nmol/min/mg for formation of DAG and DPG respectively).5. These results demonstrate that the in vitro glucuronidation rate of diflunisal may be affected by the microsomal beta-glucuronidase activity particularly when using rat liver microsomes. Our results also demonstrate that the human kidney has an important UGT-activity towards diflunisal.
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