17-cyclobutylmethyl-4,5α-epoxy-morphinane-3,6α,14-triol | 16676-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 17-cyclobutylmethyl-4,5α-epoxy-morphinane-3,6α,14-triol
• 英文别名: N-(Methylcyclobutyl)-14-hydroxy-dihydronormorpholin；nalbuphine；(5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol；3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
• CAS: 16676-36-1；20594-83-6；85284-04-4
• 化学式: C₂₁H₂₇NO₄
• 分子量: 357.45
• InChiKey: NETZHAKZCGBWSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  73.2
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• One Pot Process for Producing 6-Hydroxyl Nal-Opiate
  申请人：Mallinckrodt LLC

  公开号：US20130203999A1

  公开（公告）日：2013-08-08

  The present invention provides processes for preparing nal-opiates without the isolation of intermediates. In general, the process provides for alkylation and reduction in the same pot to give the nal-opiate.

  本发明提供了一种制备纳洛酮类药物的方法，无需分离中间体。一般来说，该方法在同一容器中进行烷基化和还原反应，从而得到纳洛酮类药物。
• N-demethylation of N-methyl morphinans
  申请人：Wang Peter X.

  公开号：US20090156815A1

  公开（公告）日：2009-06-18

  The present invention provides a synthetic process for the N-demethylation of N-methyl morphinans. In particular, the invention provides improved synthetic methods for the preparation of N-demethylated morphinan compounds that may be employed as starting materials, for example, commonly available N-methyl opiates such as oripavine and thebaine, and C(3)-protected hydroxy derivatives of oripavine.

  本发明提供了一种合成N-去甲基化N-甲基吗啡酮的方法。具体地，本发明提供了改进的合成方法，用于制备N-去甲基化吗啡酮化合物，这些化合物可以作为起始物质，例如，常见的N-甲基阿片类药物，如奥利帕汀和鸦片碱，以及奥利帕汀的C(3)-保护羟基衍生物。
• Novel Therapeutic Compounds
  申请人：SESHA Ramesh

  公开号：US20120046272A1

  公开（公告）日：2012-02-23

  The present invention describes a series of therapeutically active compounds of formula I, X—Y—Z  (I) that are useful for treating a disorder in a mammal. In the formula I, X and Z, which may be same or different, are independently selected from substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkylalkyl, substituted or unsubstituted aryl, substituted or unsubstituted arylalkyl, substituted or unsubstituted heteroaryl, substituted or unsubstituted heteroarylalkyl, substituted or unsubstituted heterocyclic group or substituted or unsubstituted heterocyclylalkyl; and Y is a linker selected from —O—, —S—, —NH—, —(CH 2 ) n —, —CO—, —CONR a —, —NR a CO—, —NR a COO—, —COO—, —CONR a CO—, —CONR a COO— and —COOCOO—. The compounds are useful to treat neurodegenerative disorders, depression, Alzheimer's disease, cognitive disorders, motor disorders, Parkinson's disease, drug addiction, behavioral disorders, inflammatory disorders, stomach disorders, cancers, acute pain, chronic pain and recurrent pain.

  本发明描述了一系列具有治疗活性的化合物，其化学式为I，X—Y—Z  (I)，适用于治疗哺乳动物中的某种疾病。在化学式I中，X和Z，可以相同也可以不同，独立地选择自取代或未取代的烷基、取代或未取代的烯基、取代或未取代的环烷基、取代或未取代的环烷基烷基、取代或未取代的芳基、取代或未取代的芳基烷基、取代或未取代的杂芳基、取代或未取代的杂芳基烷基、取代或未取代的杂环基团或取代或未取代的杂环烷基；Y是从—O—、—S—、—NH—、—(CH2)n—、—CO—、—CONRa—、—NRaCO—、—NRaCOO—、—COO—、—CONRaCO—、—CONRaCOO—和—COOCOO—中选择的连接基团。这些化合物适用于治疗神经退行性疾病、抑郁症、阿尔茨海默病、认知障碍、运动障碍、帕金森病、药物成瘾、行为障碍、炎症性疾病、胃病、癌症、急性疼痛、慢性疼痛和复发性疼痛。
• Process for the Preparation of 6-Beta Hydroxy Morphinan Compounds
  申请人：Bao Jian

  公开号：US20090312552A1

  公开（公告）日：2009-12-17

  The invention provides processes for the conversion of a 6-keto morphinan to a 6-hydroxy morphinan. In particular, the invention provides a stereoselective process for the conversion of a 6-keto morphinan to a 6-beta-hydroxy morphinan.

  该发明提供了将6-酮吗啡烷转化为6-羟基吗啡烷的过程。具体地，该发明提供了一种立体选择性的过程，用于将6-酮吗啡烷转化为6-β-羟基吗啡烷。
• COMPOSITIONS AND METHODS OF ENHANCING OPIOID RECEPTOR ENGAGEMENT BY OPIOID HEXADIENOATES AND OPTIONALLY SUBSTITUTED HEXADIENOATES
  申请人：Kappa-Pharma LLC

  公开号：US20200055864A1

  公开（公告）日：2020-02-20

  The present invention relates to opiate derived compositions and their antagonists useful in therapeutic areas associated with opioid receptor modulation, A 3-hexadienoate modification of the opioids is formulated to improve opiates' engagement of the opioid receptors when given orally. A 3-hexadienoate modification of Nalbuphine or a pharmaceutically acceptable salt of thereof to improve quality of pain management when given intravenously, intranasally, transdermally, sublingually, rectally, topically, intramuscularly, subcutaneously or via inhalation. A 3-hexadienoate modification of the opioids antagonists is formulated to improve inhibition of the opioid receptors when given orally. A 3-hexadienoate modification of Naloxone or a pharmaceutically acceptable salt of thereof to improve quality of Sobering when given intravenously, intranasally, transdermally, sublingually, rectally, topically, intramuscularly, subcutaneously or via inhalation.

  本发明涉及鸦片类化合物及其拮抗剂，用于调节与阿片受体相关的治疗领域。一种3-己二烯酸酯修饰的鸦片类化合物被设计用于口服时提高与阿片受体的结合能力。一种3-己二烯酸酯修饰的Nalbuphine或其药学上可接受的盐被设计用于静脉注射、鼻腔给药、经皮给药、舌下给药、直肠给药、局部给药、肌肉注射、皮下注射或吸入时提高镇痛疗效。一种3-己二烯酸酯修饰的鸦片类化合物的拮抗剂被设计用于口服时提高对阿片受体的抑制作用。一种3-己二烯酸酯修饰的Naloxone或其药学上可接受的盐被设计用于静脉注射、鼻腔给药、经皮给药、舌下给药、直肠给药、局部给药、肌肉注射、皮下注射或吸入时提高解酒疗效。