fluphenazine-sulfoxide | 1674-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: fluphenazine-sulfoxide
• 英文别名: 2-{4-[3-(5-oxo-2-trifluoromethyl-5H-5λ⁴-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol；4-<3-(2-Trifluormethyl-phenothiazinyl-(10))-propyl>-1-hydroxyethyl-piperazin-5-oxid；Fluphenazin-sulfoxid；Fluphenazinsulfoxid；Fluphenazinoxid；Fluphenazine sulfoxide；2-[4-[3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
• CAS: 1674-76-6
• 化学式: C₂₂H₂₆F₃N₃O₂S
• 分子量: 453.529
• InChiKey: UFPPOFUTIWYLNR-UHFFFAOYSA-N

物化性质

• 熔点：
  131-133?C
• 沸点：
  615.4±55.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

ADMET

代谢

10-[3-[4-(2-羟基乙基)哌嗪-1-基]丙基]-2-(三氟甲基)-10H-5'-吩噻嗪-5-酮是氟奋乃静的一种已知人体代谢物。

10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-2-(trifluoromethyl)-10H-5'-phenothiazin-5-one is a known human metabolite of fluphenazine.

来源:NORMAN Suspect List Exchange

安全信息

• WGK Germany：
  3
• 储存条件：
  2-8°C

反应信息

• 作为产物：
  描述：

  fluphenazine dihydrochloride 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.03h， 以70%的产率得到fluphenazine-sulfoxide
  参考文献：
  名称：

  Enrichment of Relevant Oxidative Degradation Products in Pharmaceuticals With Targeted Chemoselective Oxidation

  摘要：

  The ability to produce and isolate relatively pure amounts of relevant degradation products is key to several aspects of drug product development: (a) aid in the unambiguous structural identification of such degradation products, fulfilling regulatory requirements to develop safe formulations (International Conference on Harmonization Q3B and M7); (b) pursue as appropriate safety evaluations with such material, such as chronic toxicology or Ames testing; (c) for a specified degradation product in a late-stage regulatory filing, use pure and well-characterized material as the analytical standard. Producing such materials is often a resource-and time-intensive activity, either relying on the isolation of slowly formed degradation products from stressed drug product or by re-purposing the drug substance synthetic route. This problem is exacerbated if the material of interest is an oxidative degradation product, because typical oxidative stressing (H2O2 and radical initiators) tends to produce a myriad of irrelevant species beyond a certain stress threshold, greatly complicating attempts for isolating the relevant degradation product. In this article, we present reagents and methods that may allow the rapid and selective enrichment of active pharmaceutical ingredient with the desired oxidative degradation product, which can then be isolated and used for purposes described above. (c) 2019 American Pharmacists Association (R). Published by Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.xphs.2018.10.059

文献信息

• Enrichment of Relevant Oxidative Degradation Products in Pharmaceuticals With Targeted Chemoselective Oxidation
  作者：Kausik K. Nanda、Olivier Mozziconacci、James Small、Leonardo R. Allain、Roy Helmy、W. Peter Wuelfing

  DOI：10.1016/j.xphs.2018.10.059

  日期：2019.4

  The ability to produce and isolate relatively pure amounts of relevant degradation products is key to several aspects of drug product development: (a) aid in the unambiguous structural identification of such degradation products, fulfilling regulatory requirements to develop safe formulations (International Conference on Harmonization Q3B and M7); (b) pursue as appropriate safety evaluations with such material, such as chronic toxicology or Ames testing; (c) for a specified degradation product in a late-stage regulatory filing, use pure and well-characterized material as the analytical standard. Producing such materials is often a resource-and time-intensive activity, either relying on the isolation of slowly formed degradation products from stressed drug product or by re-purposing the drug substance synthetic route. This problem is exacerbated if the material of interest is an oxidative degradation product, because typical oxidative stressing (H2O2 and radical initiators) tends to produce a myriad of irrelevant species beyond a certain stress threshold, greatly complicating attempts for isolating the relevant degradation product. In this article, we present reagents and methods that may allow the rapid and selective enrichment of active pharmaceutical ingredient with the desired oxidative degradation product, which can then be isolated and used for purposes described above. (c) 2019 American Pharmacists Association (R). Published by Elsevier Inc. All rights reserved.