摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

(2R,3R,4S,5S,6S)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 1207167-92-7

中文名称
——
中文别名
——
英文名称
(2R,3R,4S,5S,6S)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
英文别名
——
(2R,3R,4S,5S,6S)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate化学式
CAS
1207167-92-7
化学式
C31H38N2O9
mdl
——
分子量
582.651
InChiKey
XNJCOFDMYUHTLI-FVYAUOJASA-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

计算性质

  • 辛醇/水分配系数(LogP):
    2.94
  • 重原子数:
    42.0
  • 可旋转键数:
    9.0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.48
  • 拓扑面积:
    120.91
  • 氢给体数:
    0.0
  • 氢受体数:
    11.0

反应信息

  • 作为产物:
    描述:
    地昔帕明乙酰溴-Alpha-D-葡萄糖酮酸甲基酯sodium carbonate 作用下, 以 二氯甲烷丙酮 为溶剂, 以17%的产率得到(2R,3R,4S,5S,6S)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
    参考文献:
    名称:
    A convenient new synthesis of quaternary ammonium glucuronides of drug molecules
    摘要:
    N-Glucuronides, of various Structural types, are frequently encountered as drug metabolites. Efficient chemical synthesis of these compounds, both as analytical standards and for toxicological investigation, is therefore an important goal. Earlier syntheses of N+-glucuronides of aliphatic tertiary amine drugs involved direct reaction of the drug molecule with a bromosugar, but yields were generally low and of poor reproducibility, with many by-products. In addition the final products were often of low stability, hindering effective isolation and purification. We now report that a stable, readily prepared glucuronic acid hemiacetal is a reliable precursor for metabolites of this type and give three pharmaceutically relevant examples. We report further on the stability of the final metabolites and the conditions required for their isolation and purification. (C) 2009 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.tet.2009.10.113
点击查看最新优质反应信息