α,3,5,6,7,8-hexadeuteroquinaldine | 219959-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: α,3,5,6,7,8-hexadeuteroquinaldine
• 英文别名: 3,5,6,7,8-Pentadeuterio-2-(deuteriomethyl)quinoline
• CAS: 219959-25-8
• 化学式: C₁₀H₉N
• 分子量: 149.141
• InChiKey: SMUQFGGVLNAIOZ-MZWXYZOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  α,3,5,6,7,8-hexadeuteroquinaldine 在 硫酸 、 溴 、 sodium acetate 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 7.75h， 生成 3,5,6,7,8-pentadeuteroquinaldic acid-hydroxysuccinimide ester
  参考文献：
  名称：

  The synthesis of labelled forms of saquinavir

  摘要：

  The development of the HIV-protease inhibitor, saquinavir (Ro 31-8959), required a range of analytical methods for the measurement of the parent drug and drug-related material in biological fluids. This paper describes the synthesis of 14-carbon and tritium labelled compounds used for in vivo and in vitro investigations of the absorption and disposition of saquinavir in animals and man. It also discusses the preparation of saquinavir labelled with deuterium and stable isotopes of carbon and nitrogen. These forms of the drug were needed for bioequivalence studies in which HPLC/MS/MS was employed for the measurement of plasma concentrations. Finally, the synthesis of a 125-iodine labelled tracer used in a radioimmunoassay for saquinavir is described.

  DOI：

  10.1002/(sici)1099-1344(199812)41:12<1103::aid-jlcr157>3.0.co;2-m
• 作为产物：
  描述：

  D₈-anilinium chloride 、 丁烯-2-醛 在 氘代盐酸 、 三氯化铁 、 zinc(II) chloride 、 乙酸酐 作用下， 以 乙醇-D1 、 重水 为溶剂， 反应 2.33h， 以70.9%的产率得到α,3,5,6,7,8-hexadeuteroquinaldine
  参考文献：
  名称：

  The synthesis of labelled forms of saquinavir

  摘要：

  The development of the HIV-protease inhibitor, saquinavir (Ro 31-8959), required a range of analytical methods for the measurement of the parent drug and drug-related material in biological fluids. This paper describes the synthesis of 14-carbon and tritium labelled compounds used for in vivo and in vitro investigations of the absorption and disposition of saquinavir in animals and man. It also discusses the preparation of saquinavir labelled with deuterium and stable isotopes of carbon and nitrogen. These forms of the drug were needed for bioequivalence studies in which HPLC/MS/MS was employed for the measurement of plasma concentrations. Finally, the synthesis of a 125-iodine labelled tracer used in a radioimmunoassay for saquinavir is described.

  DOI：

  10.1002/(sici)1099-1344(199812)41:12<1103::aid-jlcr157>3.0.co;2-m

文献信息

• The synthesis of labelled forms of saquinavir
  作者：H. R. Wiltshire、K. J. Prior、J. Dhesi、F. Trach、M. Schlageter、H. Schönenberger

  DOI：10.1002/(sici)1099-1344(199812)41:12<1103::aid-jlcr157>3.0.co;2-m

  日期：1998.12

  The development of the HIV-protease inhibitor, saquinavir (Ro 31-8959), required a range of analytical methods for the measurement of the parent drug and drug-related material in biological fluids. This paper describes the synthesis of 14-carbon and tritium labelled compounds used for in vivo and in vitro investigations of the absorption and disposition of saquinavir in animals and man. It also discusses the preparation of saquinavir labelled with deuterium and stable isotopes of carbon and nitrogen. These forms of the drug were needed for bioequivalence studies in which HPLC/MS/MS was employed for the measurement of plasma concentrations. Finally, the synthesis of a 125-iodine labelled tracer used in a radioimmunoassay for saquinavir is described.