ABX-1431 | CAS#1446817-84-0 | MGLL inhibitor

MedKoo Cat#: 555483 | Name: ABX-1431

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ABX-1431 is a covalent, irreversible MGLL inhibitor. ABX-1431 is currently entering clinical studies for neurological disorder as well as for other indications, such as neuromyeltis optica and multiple sclerosis.

Chemical Structure

ABX-1431

CAS#1446817-84-0

Theoretical Analysis

MedKoo Cat#: 555483

Name: ABX-1431

CAS#: 1446817-84-0

Chemical Formula: C20H22F9N3O2

Exact Mass: 507.1568

Molecular Weight: 507.40

Elemental Analysis: C, 47.34; H, 4.37; F, 33.70; N, 8.28; O, 6.31

Price and Availability

Size	Price	Availability
10mg	USD 90.00	Ready to Ship
25mg	USD 185.00	Ready to Ship
50mg	USD 310.00	Ready to Ship
100mg	USD 550.00	Ready to Ship
200mg	USD 950.00	Ready to Ship
500mg	USD 2,150.00	Ready to Ship

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Related CAS #

No Data

Synonym

ABX-1431; ABX 1431; ABX1431; Elcubragistat

IUPAC/Chemical Name

1,1,1,3,3,3-Hexafluoropropan-2-yl-4-[[2-(pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

InChi Key

SQZJGTOZFRNWCX-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2

SMILES Code

O=C(N1CCN(CC2=CC=C(C(F)(F)F)C=C2N3CCCC3)CC1)OC(C(F)(F)F)C(F)(F)F

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Monoacylglycerol lipase (MGLL or MAGL) is a critical point of regulation of both endocannabinoid and eicosanoid signaling pathways in the brain, thereby providing novel therapeutic opportunities for neurological and neurodegenerative diseases

Certificate of Analysis

View CoA: current batch, Lot#B9B05C28

QC Data

View QC data: current batch, Lot#B9B05C28

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	DMSO	78.3	154.38
	DMF	10.0	19.71
	Ethanol	55.0	108.40
	Ethanol:PBS (pH 7.2) (1:10)	0.1	0.20

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 507.40 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Ma X, Xia M, Wei L, Guo K, Sun R, Liu Y, Qiu C, Jiang J. ABX-1431 inhibits the development of endometrial adenocarcinoma and reverses progesterone resistance by targeting MGLL. Cell Death Dis. 2022 Dec 23;13(12):1067. doi: 10.1038/s41419-022-05507-z. PMID: 36550099; PMCID: PMC9780207. 2: Deng H, Li W. Monoacylglycerol lipase inhibitors: modulators for lipid metabolism in cancer malignancy, neurological and metabolic disorders. Acta Pharm Sin B. 2020 Apr;10(4):582-602. doi: 10.1016/j.apsb.2019.10.006. Epub 2019 Oct 18. PMID: 32322464; PMCID: PMC7161712. 3: Szejko N, Saramak K, Lombroso A, Müller-Vahl K. Cannabis-based medicine in treatment of patients with Gilles de la Tourette syndrome. Neurol Neurochir Pol. 2022;56(1):28-38. doi: 10.5603/PJNNS.a2021.0081. Epub 2021 Oct 28. PMID: 34708399. 4: Cisar JS, Weber OD, Clapper JR, Blankman JL, Henry CL, Simon GM, Alexander JP, Jones TK, Ezekowitz RAB, O'Neill GP, Grice CA. Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders. J Med Chem. 2018 Oct 25;61(20):9062-9084. doi: 10.1021/acs.jmedchem.8b00951. Epub 2018 Aug 23. PMID: 30067909. 5: Lucitti JL, Laudermilk LT, Amato GS, Maitra R. The Monoacylglycerol Lipase Inhibitor ABX-1431 Does Not Improve Alcoholic Liver Disease. Cannabis Cannabinoid Res. 2023 May 29. doi: 10.1089/can.2023.0003. Epub ahead of print. PMID: 37253145. 6: Jiang M, van der Stelt M. Activity-Based Protein Profiling Delivers Selective Drug Candidate ABX-1431, a Monoacylglycerol Lipase Inhibitor, To Control Lipid Metabolism in Neurological Disorders. J Med Chem. 2018 Oct 25;61(20):9059-9061. doi: 10.1021/acs.jmedchem.8b01405. Epub 2018 Oct 11. PMID: 30354159; PMCID: PMC6204598. 7: Punt JM, van der Vliet D, van der Stelt M. Chemical Probes to Control and Visualize Lipid Metabolism in the Brain. Acc Chem Res. 2022 Nov 15;55(22):3205-3217. doi: 10.1021/acs.accounts.2c00521. Epub 2022 Oct 25. PMID: 36283077; PMCID: PMC9670861. 8: Anderson LL, Doohan PT, Hawkins NA, Bahceci D, Garai S, Thakur GA, Kearney JA, Arnold JC. The endocannabinoid system impacts seizures in a mouse model of Dravet syndrome. Neuropharmacology. 2022 Mar 1;205:108897. doi: 10.1016/j.neuropharm.2021.108897. Epub 2021 Nov 22. PMID: 34822817; PMCID: PMC9514665. 9: Müller-Vahl KR, Fremer C, Beals C, Ivkovic J, Loft H, Schindler C. Monoacylglycerol Lipase Inhibition in Tourette Syndrome: A 12-Week, Randomized, Controlled Study. Mov Disord. 2021 Oct;36(10):2413-2418. doi: 10.1002/mds.28681. Epub 2021 Jun 12. PMID: 34117788. 10: Barth M, Rudolph S, Kampschulze J, Meyer Zu Vilsendorf I, Hanekamp W, Mulac D, Langer K, Lehr M. Hexafluoroisopropyl Carbamates as Selective MAGL and Dual MAGL/FAAH Inhibitors: Biochemical and Physicochemical Properties. ChemMedChem. 2022 May 4;17(9):e202100757. doi: 10.1002/cmdc.202100757. Epub 2022 Feb 18. PMID: 35072346; PMCID: PMC9303458. 11: Müller-Vahl KR, Fremer C, Beals C, Ivkovic J, Loft H, Schindler C. Endocannabinoid Modulation Using Monoacylglycerol Lipase Inhibition in Tourette Syndrome: A Phase 1 Randomized, Placebo-Controlled Study. Pharmacopsychiatry. 2022 May;55(3):148-156. doi: 10.1055/a-1675-3494. Epub 2021 Nov 30. PMID: 34847610; PMCID: PMC9110099.