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Metabolic Enzyme/Protease
MAGL
JW 642 - ≥98%(HPLC), high purity , CAS No.1416133-89-5

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JW 642 - ≥98%(HPLC), high purity , CAS No.1416133-89-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1416133-89-5
Molecular Weight: 462.39
PubChem CID: 71656520

In stock

Item Number

J288364

Grouped product items
SKU	Size	Availability	Price
J288364-5mg	5mg	3	$41.90
J288364-10mg	10mg	3	$68.90
J288364-25mg	25mg	3	$155.90
J288364-50mg	50mg	3	$246.90
J288364-100mg	100mg	2	$444.90

MAGL inhibitor

View related series

Lipid metabolism (1912) MAGL (32) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	4-[(3-Phenoxyphenyl)methyl]-1-piperazinecarboxylic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester \| BDBM179950 \| AS-82389 \| JW642 \| JW-642 \| SCHEMBL15100992 \| NCGC00379230-01 \| AKOS024458410 \| 1416133-89-5 \| JW 642 \| 1,1,1,3,3,3-hexafluoropropan-2-yl
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective monoacylglycerol lipase (MAGL) inhibitor (IC50= 3.7 nM). Displays >1000-fold selectivity for MAGL over fatty acid amide hydrolase (IC50= 20.6 μM). Analog ofJZL 195.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Piperazine carboxylic acids Benzylamines Phenylmethylamines Phenoxy compounds Phenol ethers Aralkylamines N-alkylpiperazines Carbamate esters Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Piperazine-1-carboxylic acid - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Piperazine - 1,4-diazinane - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MGLL Tchem Monoglyceride lipase (3 Activities)

Discover Target: MGLL

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate
INCHI	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
InChIKey	AVSCNEOUWSVZEY-UHFFFAOYSA-N
Smiles	C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F
Isomeric SMILES	C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F
Molecular Weight	462.39
Reaxy-Rn	22918741
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22918741&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
L2418343	Certificate of Analysis	Dec 27, 2024	J288364
A2208051	Certificate of Analysis	Oct 09, 2024	J288364
A2208052	Certificate of Analysis	Oct 09, 2024	J288364
A2208055	Certificate of Analysis	Oct 09, 2024	J288364
A2208056	Certificate of Analysis	Oct 09, 2024	J288364
A2208057	Certificate of Analysis	Oct 09, 2024	J288364

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 46.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 46.24, Max Conc. mM: 100
Molecular Weight	462.400 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	462.138 Da
Monoisotopic Mass	462.138 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	587.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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