JW642
featured

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

MedKoo CAT#: 563165

CAS#: 1416133-89-5

Description: JW642 is a selective monoacylglycerol lipase (MAGL) inhibitor.

Chemical Structure

img
JW642
CAS# 1416133-89-5
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 563165
Name: JW642
CAS#: 1416133-89-5
Chemical Formula: C21H20F6N2O3
Exact Mass: 462.14
Molecular Weight: 462.392
Elemental Analysis: C, 54.55; H, 4.36; F, 24.65; N, 6.06; O, 10.38

Price and Availability

Size Price Availability Quantity
10mg USD 285 2 Weeks
50mg USD 650 2 Weeks
100mg USD 950 2 Weeks
Bulk inquiry

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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. 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

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.

Recalculate based on batch purity %
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. 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.

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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.