[(1R)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(3-sulfooxyphenyl)ethyl] 2,2,2-trifluoroacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: [(1R)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(3-sulfooxyphenyl)ethyl] 2,2,2-trifluoroacetate
• 化学式: C₁₃H₁₁F₆NO₇S
• 分子量: 439.29
• InChiKey: KJICWZWLVUBSSL-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  13

文献信息

• SELECTIVE METABOLIC APPROACH TO INCREASING ORAL BIOAVAILABILITY OF PHENYLEPHRINE AND OTHER PHENOLIC BIOACTIVITIES
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US20140221426A1

  公开（公告）日：2014-08-07

  Presystemic metabolism in intestine of bioactives such as phenylephrine is avoided by administering a subject (human or animal) the bioactive (e.g., phenylephrine) in combination with one or more inhibitors of sulfation (e.g., sulfotransferase enzymes aka SULTs). This can also be enhanced be co-administering inhibitors of monoamine oxidases aka, MAOs, and uridine diphosphate glucoronysl transferases, aka UGTs. Preferably the inhibitors are GRAS compounds. The one or more inhibitor compounds inhibit the enzymes responsible for rapid presystemic metabolism, thus allowing the bioactives (e.g., phenylephrine) to be more readily absorbed intact into the circulatory system.
• US9616033B2
  申请人：——

  公开号：US9616033B2

  公开（公告）日：2017-04-11