Metabolic Profile of Synthetic Cannabinoids 5F-PB-22, PB-22, XLR-11 and UR-144 by Cunninghamella elegans.

AAPS J

Centre for Forensic Science, School of Mathematical and Physical Sciences, University of Technology Sydney (UTS), PO Box 123, Broadway, Ultimo, NSW, 2007, Australia.

Published: July 2017

The knowledge of metabolic profile of synthetic cannabinoids is important for the detection of drugs in urinalysis due to the typical absence or low abundance of parent cannabinoids in human urine. The fungus Cunninghamella elegans has been reported to be a useful tool for metabolism study and thus applicability to synthetic cannabinoid metabolism was examined. In this study, 8-quinolinyl 1-(5-fluoropentyl)-1H-indole-3-carboxylate (5F-PB-22), 8-quinolinyl 1-pentyl-1H-indole-3-carboxylate (PB-22), [1-(5-fluoropentyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone (XLR-11) and (1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone (UR-144) were incubated with C. elegans and the metabolites were identified using liquid chromatography-quadrupole time-of-flight mass spectrometry. The obtained metabolites were compared with reported human metabolites to assess the suitability of the fungus to extrapolate human metabolism. 5F-PB-22 underwent dihydroxylation, dihydrodiol formation, oxidative defluorination, oxidative defluorination to carboxylic acid, ester hydrolysis and glucosidation, alone and/or in combination. The metabolites of PB-22 were generated by hydroxylation, dihydroxylation, trihydroxylation, dihydrodiol formation, ketone formation, carboxylation, ester hydrolysis and glucosidation, alone and/or in combination. XLR-11 was transformed through hydroxylation, dihydroxylation, aldehyde formation, carboxylation, oxidative defluorination, oxidative defluorination to carboxylic acid and glucosidation, alone and/or in combination. UR-144 was metabolised by hydroxylation, dihydroxylation, trihydroxylation, aldehyde formation, ketone formation, carboxylation, N-dealkylation and combinations. These findings were consistent with previously reported human metabolism except for the small extent of ester hydrolysis observed and the absence of glucuronidation. Despite the limitations, C. elegans demonstrated the capacity to produce a wide variety of metabolites including some major human metabolites of XLR-11 and UR-144 at high abundance, showing the potential for metabolism of newly emerging synthetic cannabinoids.

Download full-text PDF

Source
http://dx.doi.org/10.1208/s12248-017-0078-4DOI Listing

Publication Analysis

Top Keywords

oxidative defluorination
16
synthetic cannabinoids
12
ester hydrolysis
12
glucosidation and/or
12
and/or combination
12
hydroxylation dihydroxylation
12
formation carboxylation
12
metabolic profile
8
profile synthetic
8
xlr-11 ur-144
8

Similar Publications

Trifluoroacetic acid (TFA) is a ubiquitous environmental contaminant; however, its sources are poorly constrained. One understudied source is from the photochemical reactions of aromatic compounds containing -CF moieties (aryl-CF) including many pharmaceuticals and agrochemicals. Here, we studied the aqueous photochemistry of 4-(trifluoromethyl)phenol (4-TFMP), a known transformation product of the pharmaceutical fluoxetine.

View Article and Find Full Text PDF

Electrochemical destruction of PFAS at low oxidation potential enabled by CeO electrodes utilizing adsorption and activation strategies.

J Hazard Mater

December 2024

School of Environmental Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, PR China; Guangdong Provincial Key Laboratory of Soil and Groundwater Pollution Control, Southern University of Science and Technology, Shenzhen 518055, PR China. Electronic address:

The persistence and ecological impact of per- and poly-fluoroalkyl substances (PFAS) in water sources necessitate effective and energy-efficient treatment solutions. This study introduces a novel approach using cerium dioxide (CeO) electrodes enhanced with oxygen vacancy (O) to catalyze the defluorination of PFAS. By leveraging the unique affinity between cerium and fluorine-containing species, our approach enables adsorptive preconcentration and catalytic degradation at low oxidation potentials (1.

View Article and Find Full Text PDF
Article Synopsis
  • PFAS are stable yet harmful chemicals, vital for modern technologies but persistent pollutants affecting health.
  • The study focuses on completely breaking down GenX, a PFAS replacement, using electrocatalysis in LiOH solutions with specialized nanocatalysts.
  • The approach is environmentally friendly, utilizing nonprecious materials and without the need for auxiliary chemicals, offering a potential solution to mitigate PFAS pollution.
View Article and Find Full Text PDF

Manganese electrode for all-solid-state fluoride batteries.

Chem Commun (Camb)

January 2025

Institute for Materials Chemistry and Engineering, Kyushu University, 6-1 Kasuga-koen, Kasuga 816-8580, Japan.

We investigate MnF as an electrode material for all-solid-state fluoride batteries. The initial discharge capacity due to defluorination was 535 mA h g. Manganese was confirmed to be reduced and oxidized during charge-discharge measurements.

View Article and Find Full Text PDF

Defluorinative Cyclization of Enamides with Fluoroalkyl Halides Through Two Vicinal C(sp)─F Bonds Functionalization.

Adv Sci (Weinh)

December 2024

Technical Institute of Fluorochemistry, School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing, 211816, China.

Introducing distinctive functional groups to expand the structural diversity and improve the intrinsic properties of parent molecules has been an essential pursuit in organic chemistry. By using perfluoroalkyl halide (PFAH) as a nontraditional, readily available, ideal 1,2-difluoroalkenyl coupling partner, a defluorinative cyclization reaction of enamides for the construction of fluoroalkenyl oxazoles is first developed. The selective and controllable two-fold cleavage of vicinal C(sp)─F bonds in PFAH not only enables the introduction of a specific 1,2-difluoroalkenyl moiety with ease but also results in the functionalization of two C(sp)─H bonds of enamides without the need for metal catalyst, photocatalyst, oxidant, or light.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!