ABX-1431

Catalog No.S8823

For research use only.

ABX-1431 is a highly potent, selective, and CNS-penetrant Monoacylglycerol lipase (MGLL) inhibitor with IC50 values of 14 nM and 27 nM for hMGLL and mMGLL respectively.

ABX-1431 Chemical Structure

CAS No. 1446817-84-0

Purity & Quality Control

Choose Selective Lipase Inhibitors

Biological Activity

Description ABX-1431 is a highly potent, selective, and CNS-penetrant Monoacylglycerol lipase (MGLL) inhibitor with IC50 values of 14 nM and 27 nM for hMGLL and mMGLL respectively.
Targets
hMGLL [1]
()
mMGLL [1]
()
14 nM 27 nM
In vitro

ABX-1431 is a potent human MGLL inhibitor (average IC50 = 0.014 μM) with >100-fold selectivity against ABHD6 and >200-fold selectivity against PLA2G7. Treatment of intact human PC3 cells with ABX-1431 following a 30 min inhibitor incubation time causes concentration dependent inhibition of MGLL activity with an IC50 value of 0.0022 μM, which is ∼6-fold more potent than that observed in vitro. ABX-1431 inhibits MGLL via carbamoylation of the catalytic nucleophile Ser122[1].

In vivo

Pharmacokinetic analysis in rats and dogs of ABX-1431 indicate low to moderate systemic clearance, moderate volume of distribution, and high oral bioavailability (64% in rat, 57% in dog). While ABX-1431 is stable in human and dog plasma, it is not stable in rat plasma. ABX-1431 is a potent and selective inhibitor of MGLL in mouse and rat brain in vivo[1]. ABX-1431 inhibits MGLL activity with an ED50 of 0.5-1.4 mg/kg (po) and dose-dependently increases brain 2-AG levels in mouse brain. A rat inflammatory pain model is used to assess the pharmacodynamics effect. ABX-1431 demonstrates potent antinociceptive effects in a formalin paw test at a dose that produced near complete MGLL inhibition and maximal elevation of 2-AG[2].

Protocol (from reference)

Cell Research:

[1]

  • Cell lines: PC3 cells
  • Concentrations: 0.1-10 μM
  • Incubation Time: 30 min
  • Method:

    Human prostate cancer PC3 cells are grown in F-12K medium supplemented with 10% fetal bovine serum at 37 °C with 5% CO2 to ∼80% confluency in 100 mm dishes. ABX-1431 is added to cells to give final concentration of 0.1-10 μM compound in serum free media. Cells are incubated with compound for 30 min at 37°C with 5% CO2. Cells are washed, harvested, and lysed by probe sonication. Cell lysates (2 mg/mL) are treated with JW912 (1 μM) and analyzed by SDS-PAGE and in-gel fluorescence scanning.

  • (Only for Reference)
Animal Research:

[1]

  • Animal Models: male Sprague-Dawley rats
  • Dosages: 1 mg/kg
  • Administration: IV
  • (Only for Reference)

Solubility (25°C)

In vitro

DMSO 100 mg/mL
(197.08 mM)
Ethanol 100 mg/mL
(197.08 mM)
Water Insoluble

* Please note that Selleck tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations.

Chemical Information

Molecular Weight 507.39
Formula

C20H22F9N3O2

CAS No. 1446817-84-0
Storage 3 years -20°C powder
2 years -80°C in solvent
Smiles C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F

In vivo Formulation Calculator (Clear solution)

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Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Molarity Calculator

Mass Concentration Volume Molecular Weight

Clinical Trial Information

NCT Number Recruitment Interventions Conditions Sponsor/Collaborators Start Date Phases
NCT03447756 Completed Drug: ABX-1431|Drug: Placebo oral capsule Post Herpetic Neuralgia|Diabetic Peripheral Neuropathy|Small Fiber Neuropathy|Post-Traumatic Neuralgia Abide Therapeutics October 2 2017 Phase 1
NCT03138421 Completed Drug: ABX-1431 HCl|Drug: Placebo Neuromyelitis Optica Spectrum Disorder|Transverse Myelitis|Multiple Sclerosis|Longitudinally Extensive Transverse Myelitis Abide Therapeutics August 1 2017 Phase 1
NCT03058562 Completed Drug: ABX-1431|Drug: Placebo Comparator Tourette Syndrome|Chronic Motor Tic Disorder Abide Therapeutics February 1 2017 Phase 1
NCT02929264 Completed Drug: ABX-1431|Drug: Placebo Pain Abide Therapeutics|University of Oxford December 2016 Phase 1

(data from https://clinicaltrials.gov, updated on 2022-01-17)

Tech Support

Answers to questions you may have can be found in the inhibitor handling instructions. Topics include how to prepare stock solutions, how to store inhibitors, and issues that need special attention for cell-based assays and animal experiments.

Handling Instructions

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