去甲凯托米酮 | 15847-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 去甲凯托米酮
• 英文名称: Norketobemidone
• 英文别名: 1-[4-(3-hydroxyphenyl)-4-piperidyl]-1-propanone；N-norketobemidone；N-norketobemidon；1-[4-(3-hydroxy-phenyl)-piperidin-4-yl]-propan-1-one；4-(3-Hydroxy-phenyl)-4-propionyl-piperidin；1-[4-(3-hydroxyphenyl)piperidin-4-yl]propan-1-one
• CAS: 15847-72-0
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: BJTDPLRIKDSWIS-UHFFFAOYSA-N

物化性质

• 熔点：
  222 °C(Solv: ethanol (64-17-5))
• 沸点：
  402.2±45.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

Norketobemidone是ketobemidone的一个已知人体代谢物。

Norketobemidone is a known human metabolite of ketobemidone.

来源:NORMAN Suspect List Exchange

安全信息

• 海关编码：
  2933399090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  去甲凯托米酮 在 氢溴酸 、 potassium hydrogencarbonate 作用下， 以 四氢呋喃 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  May, Everette L.; Jacobson, Arthur E.; Mattson, Mariena V., Medicinal Chemistry Research, 1998, vol. 8, # 6, p. 311 - 321

  摘要：

  DOI：

文献信息

• Some spiro analogs of the potent analgesic ketobemidone
  作者：M. E. Rogers、D. S. Wilkinson、J. R. Thweatt、S. P. Halenda

  DOI：10.1021/jm00180a024

  日期：1980.6

  A series of spiro analogues of the potent narcotic ketobemidone have been prepared and found to be devoid of opiate activity. Additional pharmacology and possible implications for the mode of binding of ketobemidone to the analgesic receptor are discussed.

  已经制备了一系列有效的麻醉性酮戊二酮的螺环类似物，发现没有鸦片活性。讨论了其他药理学和酮异泛酮与镇痛药结合方式的可能含义。
• N-(Trifluoromethyl)benzyl substituted N-Normetazocines and N-Norketobemidones
  作者：Everette L May、Andrew Coop、James H Woods、Mario D Aceto、Edward R Bowman、Louis S Harris、John R Traynor

  DOI：10.1016/s0968-0896(02)00435-2

  日期：2003.1

  To further investigate the unusual profile of N-benzyl substituted opioids, N-trifluoromethylbenzyl normetazocines and norketobemidones were prepared. The introduction of trifluoromethyl substituents on the benzyl group of the (-)-metazocines reduced affinity at all three receptors, with the greatest loss at kappa receptors. Surprisingly, some of the (+)-normetazocines actually possessed higher affinity than the corresponding (-)-isomers. In the ketobemidone series, the effects were different-the 4-trifluoromethyl substituted ketobemidone actually possessed 3-fold higher mu. affinity than the unsubstituted parent to give a ligand with good mu affinity. In functional in vitro assays, this compound was a weak antagonists, but in apparent contradiction it was inactive in in vivo assays. (C) 2002 Elsevier Science Ltd. All rights reserved.
• ROGERS M. E.; WILKINSON D. S.; THWEATT J. R.; HALENDA S. P., J. MED. CHEM., 1980, 23, NO 6, 688-690
  作者：ROGERS M. E.、 WILKINSON D. S.、 THWEATT J. R.、 HALENDA S. P.

  DOI：——

  日期：——
• US3763164A
  申请人：——

  公开号：US3763164A

  公开（公告）日：1973-10-02
• May, Everette L.; Jacobson, Arthur E.; Mattson, Mariena V., Medicinal Chemistry Research, 1998, vol. 8, # 6, p. 311 - 321
  作者：May, Everette L.、Jacobson, Arthur E.、Mattson, Mariena V.、Coop, Andrew、Aceto, Mario D.、Bowman, Edward R.、Traynor, John R.、Woods, James H.、Harris, Louis S.

  DOI：——

  日期：——