codeine-6-glucuronide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: codeine-6-glucuronide
• 英文别名: (2S,3S,4S,5R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₂₄H₂₉NO₉
• 分子量: 475.496
• InChiKey: CRWVOYRJXPDBPM-CJXISONYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  10

ADMET

代谢

(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-9-甲氧基-3-甲基-2,4,4a,7,7a,13-六氢-1H-4,12-甲烷苯并呋喃[3,2-e]异喹啉-7-基]氧基]-3,4,5-三羟基氧杂环己烷-2-羧酸是可待因的一个已知人体代谢物。

(2S,3S,4S,5R)-6-[[(4R,4Ar,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a known human metabolite of codeine.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  codeine-6-glucuronide 在 pyridinium chlorochromate 作用下， 以 水 为溶剂， 反应 168.0h， 生成 可待因酮
  参考文献：
  名称：

  用氯铬酸吡啶鎓掺假将可待因和可待因-6-葡萄糖醛酸转化为阿片类似物：尿液药物检测的潜在问题

  摘要：

  氯铬酸吡啶鎓（PCC）是“尿液运气”的活性成分，“尿液运气”是一种可用于体外掩盖尿液样本中药物存在的体外掺假剂。对可待因及其主要的葡萄糖醛酸代谢物可待因-6-葡萄糖醛酸（C6G）暴露于PCC进行了研究，以确定PCC是否是这些鸦片化合物的有效掩蔽剂。

  DOI：

  10.1002/rcm.6935

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND DEPENDANCE DISORDERS<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE LA DOULEUR ET DE TROUBLES DE LA DÉPENDANCE
  申请人：RIPPLE THERAPEUTICS CORP

  公开号：WO2021024039A1

  公开（公告）日：2021-02-11

  Provided herein are (e.g., controlled release) compositions for the treatment of acute or chronic diseases or disorders. Described herein are processable opioid conjugates. Also described herein are compositions and methods for the treatment of central nervous system (CNS) diseases or disorders including chronic pain (e.g., cancer pain), acute pain, opioid addiction, alcohol addiction, alcohol dependence, opioid-induced constipation, and narcotic depression. Said compositions and methods comprise opioid agonists and/or opioid antagonists, which demonstrate CNS activity and/or other desirable activities. Injection of said compositions subcutaneously or intraspinally provides therapeutic benefit to individuals suffering from CNS diseases or disorders

  本文提供了用于治疗急性或慢性疾病或障碍的（例如，控释）组合物。本文描述了可加工的阿片类结合物。本文还描述了用于治疗中枢神经系统（CNS）疾病或障碍的组合物和方法，包括慢性疼痛（例如，癌症疼痛）、急性疼痛、阿片类成瘾、酒精成瘾、酒精依赖、阿片类引起的便秘和麻醉性抑郁症。所述组合物和方法包括表现出CNS活性和/或其他理想活性的阿片类激动剂和/或阿片类拮抗剂。将所述组合物皮下或脊髓内注射可为患有中枢神经系统疾病或障碍的个体提供治疗益处。
• NOVEL MORPHINE DERIVATIVES
  申请人：Larbouret Karine

  公开号：US20100075912A1

  公开（公告）日：2010-03-25

  The present invention relates to new morphine-6-glucuronide derivatives, to pharmaceutical compositions thereof and uses thereof.

  本发明涉及新的吗啡-6-葡糖醛酸酯衍生物，其药用组合物及其用途。
• Abuse deterrent compositions and methods of use
  申请人：Inspirion Delivery Technologies, LLC

  公开号：US10420726B2

  公开（公告）日：2019-09-24

  Orally administrable pharmaceutical compositions, methods of administration, and methods of making the same are provided. The pharmaceutical compositions provide abuse deterrent properties.

  本文提供了可口服的药物组合物、给药方法和制作方法。这些药物组合物具有抑制滥用的特性。
• Dual swab fluid sample collection for split sample testing and fingerprint identification device
  申请人：Guirguis Raouf A

  公开号：US10564155B2

  公开（公告）日：2020-02-18

  An apparatus for testing a fluid sample including a sample receiving member having an opening for receiving a fluid sample, wherein the sample receiving member comprises at least a first and second sample collection chambers, a sample retention member, in fluid communication with the first sample collection chamber, to retain a portion of the fluid sample, and at least one test strip, in fluid communication with the second collection chamber, to indicate the presence or absence of at least one analyte in the fluid sample, wherein the first collection chamber is not in fluid communication with the second collection chamber.

  一种用于检测流体样品的仪器，包括一个样品接收部件，该部件具有一个用于接收流体样品的开口，其中样品接收部件包括至少一个第一和第二样品收集室、一个与第一样品收集室流体相通的用于保留部分流体样品的样品保留部件，以及至少一个与第二收集室流体相通的用于指示流体样品中是否存在至少一种分析物的测试条，其中第一收集室不与第二收集室流体相通。
• Personalized pain management and anesthesia: preemptive risk identification and therapeutic decision support
  申请人：CHILDREN'S HOSPITAL MEDICAL CENTER

  公开号：US10662476B2

  公开（公告）日：2020-05-26

  Methods and compositions disclosed herein generally relate to methods of improving clinical and economic outcomes to address adverse effects related to anesthesia, analgesics, opioids, and inadequate pain relief. Embodiments of the invention relate to the association between genes, specific polymorphisms of genes, and non-genetic factors with inadequate pain relief and anesthesia-, analgesic, and/or opioid-related adverse effects. Embodiments of the invention can be used to determine and manage patient risk factors for development of adverse perioperative effects and can allow for personalized anesthesia and pain management for improvement of pain control and reduction of anesthesia-, analgesic-, and opioid-related adverse outcomes. These methods and compositions apply to non-surgical pain management with opioids. Therefore, patients who are genetically predisposed to risk of inadequate pain relief and/or serious side effects from anesthesia, analgesics, and/or opioids can be identified and individualized treatment plans developed for implementation by the clinician to improve clinical and economic outcomes.

  本文公开的方法和组合物一般涉及改善临床和经济效果的方法，以解决与麻醉、镇痛剂、阿片类药物和疼痛缓解不足有关的不良反应。本发明的实施方案涉及基因、基因的特定多态性和非遗传因素与疼痛缓解不足和麻醉、镇痛和/或阿片类药物相关不良反应之间的关联。本发明的实施方案可用于确定和管理围术期不良反应发生的患者风险因素，并可进行个性化麻醉和疼痛管理，以改善疼痛控制，减少麻醉、镇痛和阿片类药物相关的不良反应。这些方法和组合物适用于使用阿片类药物的非手术疼痛治疗。因此，可以确定哪些患者在遗传上容易出现疼痛缓解不足和/或麻醉、镇痛剂和/或阿片类药物产生严重副作用的风险，并制定个性化治疗方案供临床医生实施，以改善临床和经济效果。