JW642 | CAS#1416133-89-5 | MAGL inhibitor

MedKoo Cat#: 563165 | Name: JW642

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Description:

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

JW642 is a selective monoacylglycerol lipase (MAGL) inhibitor.

Chemical Structure

JW642

CAS#1416133-89-5

Theoretical Analysis

MedKoo Cat#: 563165

Name: JW642

CAS#: 1416133-89-5

Chemical Formula: C21H20F6N2O3

Exact Mass: 462.1378

Molecular Weight: 462.39

Elemental Analysis: C, 54.55; H, 4.36; F, 24.65; N, 6.06; O, 10.38

Price and Availability

Size	Price	Availability
10mg	USD 285.00	2 Weeks
50mg	USD 650.00	2 Weeks
100mg	USD 950.00	2 Weeks

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Related CAS #

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Synonym

JW642; JW-642; JW 642;

IUPAC/Chemical Name

4-[(3-Phenoxyphenyl)methyl]-1-piperazinecarboxylic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

InChi Key

AVSCNEOUWSVZEY-UHFFFAOYSA-N

InChi Code

InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2

SMILES Code

O=C(N1CCN(CC2=CC=CC(OC3=CC=CC=C3)=C2)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

2934.99.03.00

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

JW 642 is a potent inhibitor of monoacylglycerol lipase (MAGL) that displays IC50 values of 7.6, 14, and 3.7 nM for inhibition of MAGL in mouse, rat, and human brain membranes, respectively.

In vitro activity:

TBD

In vivo activity:

The pretreatment of monkeys with JW642 resulted in a dose-dependent reduction of [18F]T-401 retentions in the brain, and VT. Lassen's graphical analysis indicated a VND of 0.69 mL/cm3 and a plasma JW642 concentration of 126 ng/mL for inhibiting the specific binding by 50%. Reference: J Cereb Blood Flow Metab. 2022 Apr;42(4):656-666. https://pubmed.ncbi.nlm.nih.gov/34727758/

	Solvent	mg/mL	mM
Solubility
	DMF	11.0	23.79
	DMSO	60.8	131.51
	Ethanol	35.1	75.87
	Ethanol:PBS (pH 7.2) (1:2)	0.3	0.65

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 462.39 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

Formulation protocol:

1. Hattori Y, Seki C, Maeda J, Nagai Y, Aoyama K, Zhang MR, Minamimoto T, Koike T, Higuchi M. Quantification of monoacylglycerol lipase and its occupancy by an exogenous ligand in rhesus monkey brains using [18F]T-401 and PET. J Cereb Blood Flow Metab. 2022 Apr;42(4):656-666. doi: 10.1177/0271678X211058285. Epub 2021 Nov 2. PMID: 34727758; PMCID: PMC8943622. 2. Mori W, Hatori A, Zhang Y, Kurihara Y, Yamasaki T, Xie L, Kumata K, Hu K, Fujinaga M, Zhang MR. Radiosynthesis and evaluation of a novel monoacylglycerol lipase radiotracer: 1,1,1,3,3,3-hexafluoropropan-2-yl-3-(1-benzyl-1H-pyrazol-3-yl)azetidine-1-[11C]carboxylate. Bioorg Med Chem. 2019 Aug 15;27(16):3568-3573. doi: 10.1016/j.bmc.2019.06.037. Epub 2019 Jun 29. PMID: 31278005.

In vitro protocol:

TBD

In vivo protocol:

1: Del Carlo S, Manera C, Chicca A, Arena C, Bertini S, Burgalassi S, Tampucci S, Gertsch J, Macchia M, Saccomanni G. Development of an HPLC/UV assay for the evaluation of inhibitors of human recombinant monoacylglycerol lipase. J Pharm Biomed Anal. 2015 Apr 10;108:113-21. doi: 10.1016/j.jpba.2015.02.007. Epub 2015 Feb 13. PubMed PMID: 25743577.