MJN110 - Moligand™,≥98% , Inhibitor of Monoacylglycerol lipase, CAS No.1438416-21-7, Inhibitor of Monoacylglycerol lipase

CAS: 1438416-21-7 Cat. No.: M611901 Molecular Weight: 462.33 EC Number: 808-748-7 PubChem CID: 71722059

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-[bis(4-chlorophenyl)methyl]-1-piperazinecarboxylic acid, 2,5-dioxo-1-pyrrolidinyl ester | HY-117474 | MJN110, >=98% (HPLC) | 1438416-21-7 | Cravatt Reagent | DTXSID301137059 | AKOS037643477 | 2,5-DIOXOPYRROLIDIN-1-YL 4-[BIS(4-CHLOROPHENYL)METHYL]PIPERAZ

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MJN110 is a selective monoacylglycerol lipase (MAGL) inhibitor with IC50s of 9.1 nM and 2.1 nM for hMAGL and 2-arachidonoylglycerol (2-AG), respectively. MJN110 produces opioid-sparing effects and displays strong antihyperalgesic activity.

Purpose：

MJN110 has been used as a monoacylglycerol lipase (MAGL) inhibitor to study its effect on aggressive grooming in rats. It has also been used to inhibit lipid droplet formation.

Specifications

Synonyms

4-[bis(4-chlorophenyl)methyl]-1-piperazinecarboxylic acid, 2, 5-dioxo-1-pyrrolidinyl ester | HY-117474 | MJN110, >=98% (HPLC) | 1438416-21-7 | Cravatt Reagent | DTXSID301137059 | AKOS037643477 | 2, 5-DIOXOPYRROLIDIN-1-YL 4-[BIS(4-CHLOROPHENYL)METHYL]PIPERAZ

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

MJN110 is a potent selective inhibitor of MAGL, the enzyme predominantly responsible for the degradation of the endocannabinoid 2-arachidonoylglycerol (2-AG) with >10, 000 selectivity over FAAH, the hydrolase that degrades the endocannabinoid anandamide (A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Monoacylglycerol lipase

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
• InChIKey: BEADRWVIFHOSGN-UHFFFAOYSA-N
• INCHI: 1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
• WGK Germany: 3
• PubChem CID: 71722059
• Molecular Weight: 462.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Piperazine carboxylic acids N-alkylpiperazines Chlorobenzenes Aralkylamines Pyrrolidine-2-ones Aryl chlorides Dicarboximides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Piperazine-1-carboxylic acid - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

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 (2 Activities)

Discover Target: MGLL

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 462.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 461.091 Da
• Monoisotopic Mass: 461.091 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 632.000
• 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