WWL 70 - Moligand™, ≥98%(HPLC) , Inhibitor of αβ-Hydrolase 6, CAS No.947669-91-2, Inhibitor of αβ-Hydrolase 6

CAS: 947669-91-2 Cat. No.: W288650 Molecular Weight: 437.49 PubChem CID: 17759121

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate | WWL70, >=98% (HPLC) | WWL 70 | EX-A2937 | DTXSID40590859 | XMB66991 | 4'-Carbamoylbiphenyl-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate | AKOS024457508 | GTPL5289 | MS-27841 | SCH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4'-Carbamoyl-[1, 1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate | WWL70, >=98% (HPLC) | WWL 70 | EX-A2937 | DTXSID40590859 | XMB66991 | 4'-Carbamoylbiphenyl-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate | AKOS024457508 | GTPL5289 | MS-27841 | SCH

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent inhibitor ofα/β-hydrolase domain 6 (ABHD6) (IC50= 70 nM), an enzyme which catalyzes the hydrolysis of2-arachidonylglycerol.

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 αβ-Hydrolase 6

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768641
• Canonical Smiles: CN(CC1=CC(=CC=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
• IUPAC Name: [4-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
• InChIKey: QTWNORFUQILKJL-UHFFFAOYSA-N
• INCHI: 1S/C27H23N3O3/c1-30(18-19-3-2-4-24(17-19)22-13-15-29-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(28)31/h2-17H,18H2,1H3,(H2,28,31)
• Isomeric SMILES: CN(CC1=CC(=CC=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
• PubChem CID: 17759121
• Molecular Weight: 437.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpyridines Benzamides Phenoxy compounds Benzoyl derivatives Heteroaromatic compounds Carbamate esters Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - 4-phenylpyridine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Pyridine - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

ABHD6 Tchem Monoacylglycerol lipase ABHD6 (1 Activities)

Discover Target: ABHD6

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

ABHD12 Tchem Monoacylglycerol lipase ABHD12 (195 Activities)

Discover Target: ABHD12

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

Associated Targets(non-human)

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

Abhd6 Monoacylglycerol lipase ABHD6 (221 Activities)

Discover Target: Abhd6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 4.37, Max Conc. mM: 10
• Molecular Weight: 437.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 437.174 Da
• Monoisotopic Mass: 437.174 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 635.000
• 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