Zatosetron | 123482-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Zatosetron
• 英文别名: 5-chloro-2,2-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
• CAS: 123482-22-4
• 化学式: C₁₉H₂₅ClN₂O₂
• 分子量: 348.9
• InChiKey: SPKBYQZELVEOLL-GOOCMWNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

代谢

扎托赛隆已知的人类代谢物包括5-氯-2,2-二甲基-N-(8-甲基-8-氧化-8-氮杂双环[3.2.1]辛烷-3-基)-3H-1-苯并呋喃-7-甲酰胺、N-(8-氮杂双环[3.2.1]辛烷-3-基)-5-氯-2,2-二甲基-3H-1-苯并呋喃-7-甲酰胺以及5-氯-3-羟基-2,2-二甲基-N-(8-甲基-8-氮杂双环[3.2.1]辛烷-3-基)-3H-1-苯并呋喃-7-甲酰胺。

Zatosetron has known human metabolites that include 5-chloro-2,2-dimethyl-N-(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide, N-(8-Azabicyclo[3.2.1]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide, and 5-Chloro-3-hydroxy-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide.

来源:NORMAN Suspect List Exchange

文献信息

• METHODS FOR INHIBITING DRUG DEGRADATION
  申请人：SEQUOIA PHARMACEUTICALS, INC.

  公开号：US20150284352A1

  公开（公告）日：2015-10-08

  Methods of inhibiting cytochrome P450 enzymes are provided that can be used for improving the treatment of diseases by preventing degradation of drugs or other molecules by cytochrome P450. Pharmaceutical compositions are provided that can act as boosters to improve the pharmacokinetics, enhance the bioavailability, and enhance the therapeutic effect of drugs that undergo in vivo degradation by cytochrome P450 enzymes.

  提供了一种抑制细胞色素P450酶的方法，可用于改善疾病治疗，防止药物或其他分子被细胞色素P450降解。提供了可以充当增强剂的药物组合物，以改善药物的药代动力学，增加生物利用度，并增强那些在体内被细胞色素P450酶降解的药物的治疗效果。
• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• [EN] DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF<br/>[FR] LIQUIDES IONIQUES À DOUBLE FONCTION ET SELS DE CEUX-CI
  申请人：UNIV ALABAMA

  公开号：WO2010078300A1

  公开（公告）日：2010-07-08

  Disclosed herein are ionic liquid compositions comprising active pharmaceutical, biological, and nutritional compounds, and methods of use. Further disclosed are compositions of matter including liquid ion pairs alone or in solution and their use; compositions of ionic liquids that are 'solvated,' for example, 'hydrated' and their uses.

  本文揭示了包括活性药物、生物学和营养化合物的离子液体组合物，以及其使用方法。进一步揭示了包括液态离子对的物质组合物，单独或溶解后使用；以及离子液体的“溶剂化”组合物，例如“水合”的组合物及其用途。
• [EN] DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEROF<br/>[FR] ANALOGUES DEUTÉRÉS D'ÉTIFOXINE, LEURS DÉRIVÉS ET LEURS UTILISATIONS
  申请人：ANVYL LLC

  公开号：WO2016154039A1

  公开（公告）日：2016-09-29

  This invention relates to deuterated analogs of etifoxine of Formula 1, solvates, prodrugs, and pharmaceutically acceptable salts thereof, as well as to methods for their preparation and use, and to pharmaceutical compositions. Briefly, this invention is generally directed to deuterated analogs of etifoxine as well as to methods for their preparation and use, and to pharmaceutical compositions containing the same.

  这项发明涉及到公式1的依托氟辛的氘代物、溶剂化合物、前药以及其药用盐，以及它们的制备和使用方法，以及药物组合物。简而言之，这项发明通常涉及到依托氟辛的氘代物，以及它们的制备和使用方法，以及含有它们的药物组合物。