Name: ABX-1431
Brand: Selleck Chemicals
SKU: S8823
Rating: 5 (1 reviews)

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Quality Control

Batch: S882301 DMSO]100 mg/mL]false]Ethanol]100 mg/mL]false]Water]Insoluble]false Purity: 99.99%

Cited in Nature Medicine for its top-tier quality
COA
NMR
SDS
Datasheet

99.99

Related Targets	Dehydrogenase HSP Transferase P450 (e.g. CYP17) PDE phosphatase PPAR Vitamin Carbohydrate Metabolism Mitochondrial Metabolism
Other Lipase Inhibitors	Tanshinone IIA Atglistatin JZL184 Pristimerin XEN445 Cetilistat Pancreatin Schaftoside URB602 Ibrolipim

Chemical Information, Storage & Stability

Molecular Weight	507.39	Formula	C₂₀H₂₂F₉N₃O₂	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1446817-84-0	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			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

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (197.08 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 100 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	5.000mg/ml (9.85mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to make it clear; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

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.

Mechanism of Action

Targets/IC₅₀/Ki	hMGLL 14 nM mMGLL 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 this compound 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. This chemical inhibits MGLL via carbamoylation of the catalytic nucleophile Ser122.
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 this compound is stable in human and dog plasma, it is not stable in rat plasma. This chemical is a potent and selective inhibitor of MGLL in mouse and rat brain in vivo. It 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. The compound demonstrates potent antinociceptive effects in a formalin paw test at a dose that produced near complete MGLL inhibition and maximal elevation of 2-AG.
References	[1] https://pubmed.ncbi.nlm.nih.gov/30067909/ [2] https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6204598/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

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

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ABX-1431 Lipase inhibitor

Chemical Structure

Molecular Weight: 507.39