(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(5-hydroxy-1H-indol-3-yl)ethoxy]oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(5-hydroxy-1H-indol-3-yl)ethoxy]oxane-2-carboxylic acid
• 化学式: C₁₆H₁₉NO₈
• 分子量: 353.32
• InChiKey: VNIRLLPRMZEOMA-AKFOCJAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  153
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• Compositions for CYP450 phenotyping using saliva samples
  申请人：Concordia University, Inc.

  公开号：US10927398B2

  公开（公告）日：2021-02-23

  Disclosed are methods and compositions which may be used in human cytochrome P450 (CYP450) enzyme phenotyping. The methods and compositions typically utilize a mélange of substrates for different CYP450 enzymes which may be administered orally to a patient. Subsequently, the metabolites of the substrates may be detected in the patient's saliva as well as any non-metabolized substrates to calculate a metabolic ratio for any given CYP450 enzyme in order to generate a phenotypic CYP450 enzyme profile for the patient.

  公开了可用于人类细胞色素 P450（CYP450）酶表型的方法和组合物。这些方法和组合物通常使用不同 CYP450 酶的混合底物，病人可以口服这些底物。随后，可检测患者唾液中底物的代谢物以及任何未代谢的底物，以计算任何给定 CYP450 酶的代谢比率，从而生成患者的表型 CYP450 酶谱。
• COMPOSITIONS FOR CYP450 PHENOTYPING USING SALIVA SAMPLES
  申请人：Concordia University, Inc.

  公开号：EP3384040A1

  公开（公告）日：2018-10-10
• EPLERENONE FOR PHENOTYPING OF CYP3A5 ENZYME ACTIVITY IN SALIVA SAMPLES
  申请人：Concordia University, Inc.

  公开号：EP3664791A1

  公开（公告）日：2020-06-17
• Eplerenone for Phenotyping of CYP3A5 Enzyme Activity in Saliva Samples
  申请人：Concordia University, Inc.

  公开号：US20200371123A1

  公开（公告）日：2020-11-26

  Disclosed are methods and compositions which may be used in human cytochrome P450 (CYP450) enzyme phenotyping. The methods and compositions typically utilize substrate for CYP3A5 comprising eplerenone which may be administered orally to a subject. Subsequently, metabolites of eplereone may be detected in the subject's saliva as well as any non- metabolized eplerenone to calculate a metabolic ratio for CYP3A5 enzyme in order to generate a phenytopic CYP3A5 enzyme profile for the subject.
• [EN] COMPOSITIONS FOR CYP450 PHENOTYPING USING SALIVA SAMPLES<br/>[FR] COMPOSITIONS POUR PHÉNOTYPAGE DE CYP450 AU MOYEN D'ÉCHANTILLONS DE SALIVE
  申请人：CONCORDIA UNIV INC

  公开号：WO2017095921A1

  公开（公告）日：2017-06-08

  Disclosed are methods and compositions which may be used in human cytochrome P450 (CYP450) enzyme phenotyping. The methods and compositions typically utilize a melange of substrates for different CYP450 enzymes which may be administered orally to a patient. Subsequently, the metabolites of the substrates may be detected in the patient's saliva as well as any non-metabolized substrates to calculate a metabolic ratio for any given CYP450 enzyme in order to generate a phenytopic CYP450 enzyme profile for the patient.