(1'R,5α,6R,7R,14α)-1'-phenyl-1‘-(4,5-epoxy-7,8-dihydro-3-hydroxy-6-methoxy-7β-methyl-17-cyclopropylmethyl-6,14-ethenomorphinan-7-yl)methan-1’-ol | 1417783-82-4

• 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: (1'R,5α,6R,7R,14α)-1'-phenyl-1‘-(4,5-epoxy-7,8-dihydro-3-hydroxy-6-methoxy-7β-methyl-17-cyclopropylmethyl-6,14-ethenomorphinan-7-yl)methan-1’-ol
• 英文别名: BU128；(1R,2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-[(R)-hydroxy(phenyl)methyl]-15-methoxy-19-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
• CAS: 1417783-82-4
• 化学式: C₃₁H₃₅NO₄
• 分子量: 485.623
• InChiKey: NZCUONOJSJVNOY-KTLUODIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-cyclopropylmethyl-6,14-endo-etheno-7β-methylnorisonepenthol 在 六甲基磷酰三胺 、 1-丙烷硫醇钠 、 氯化铵 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以103 mg的产率得到(1'R,5α,6R,7R,14α)-1'-phenyl-1‘-(4,5-epoxy-7,8-dihydro-3-hydroxy-6-methoxy-7β-methyl-17-cyclopropylmethyl-6,14-ethenomorphinan-7-yl)methan-1’-ol
  参考文献：
  名称：

  ORVINOL AND THEVINOL DERIVATIVES USEFUL IN THE TREATMENT OF DRUG AND ALCOHOL ABUSE

  摘要：

  这项发明提供了用于治疗药物和酒精滥用的奥维诺尔（orvinol）和西维诺尔（thevinol）化合物，这些化合物特别适用于预防康复成瘾者的复发。

  公开号：

  US20140213603A1

文献信息

• Orvinol and thevinol derivatives useful in the treatment of drug and alcohol abuse, depression, anxiety, or a compulsive disorder
  申请人：The University of Bath

  公开号：US10030031B2

  公开（公告）日：2018-07-24

  The invention provides a method of treating drug and alcohol abuse, depression, anxiety, or a compulsive disorder in a subject comprising administering to the subject a compound having the formula: or a pharmaceutically acceptable salt or solvate thereof, wherein R, R1, R2, R3, R4, R5, and X are as defined in the specification.

  本发明提供了一种治疗吸毒和酗酒、抑郁、焦虑或强迫症的方法，该方法包括向受试者施用一种具有以下式子的化合物： 或其药学上可接受的盐或溶液，其中 R、R1、R2、R3、R4、R5 和 X 如说明书中所定义。
• Orvinol and Thevinol Derivatives Useful in the Treatment of Drug and Alcohol Abuse
  申请人：The University of Bath

  公开号：US20150202200A1

  公开（公告）日：2015-07-23

  The invention provides orvinol and thevinol compounds useful for the treatment of drug and alcohol abuse, the compounds being particularly useful for the prevention of relapse in recovering addicts.
• Orvinol and Thevinol Derivatives Useful in the Treatment of Anxiety or a Compulsive Disorder
  申请人：The University of Bath

  公开号：US20160136151A1

  公开（公告）日：2016-05-19

  The invention provides a method of treating anxiety or a compulsive disorder in a subject comprising administering to the subject a compound having formula 2: or a pharmaceutically acceptable salt or solvate thereof, wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , and X are as defined in the specification.
• Orvinol and Thevinol Derivatives Useful in the Treatment of Drug and Alcohol Abuse, Depression, Anxiety, or a Compulsive Disorder
  申请人：The University of Bath

  公开号：US20170044173A1

  公开（公告）日：2017-02-16

  The invention provides a method of treating drug and alcohol abuse, depression, anxiety, or a compulsive disorder in a subject comprising administering to the subject a compound having formula 2 : or a pharmaceutically acceptable salt or solvate thereof, wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , and X are as defined in the specification.
• US9051334B2
  申请人：——

  公开号：US9051334B2

  公开（公告）日：2015-06-09