WWL 123 - ≥98%(HPLC) , CAS No.1338574-83-6

CAS: 1338574-83-6 Cat. No.: W287695 Molecular Weight: 436.5 PubChem CID: 90209976

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[[1,1'-Biphenyl]-3-ylmethyl)-N-methylcarbamic acid 4'-(aminocarbonyl)[1,1'-biphenyl]-4-yl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-[[1, 1'-Biphenyl]-3-ylmethyl)-N-methylcarbamic acid 4'-(aminocarbonyl)[1, 1'-biphenyl]-4-yl ester

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

α/β-hydrolase domain 6 (ABHD6) inhibitor (IC50= 0.43μM). BlocksPTZ-induced seizures in healthy mice and spontaneous seizures in R6/2 mice. Antiepileptic activity is independent of CB1and CB2receptors, but is GABAAreceptor dependent. Brain penetrant.

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.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772567
• Canonical Smiles: CN(CC1=CC(=CC=C1)C2=CC=CC=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-phenylphenyl)methyl]carbamate
• InChIKey: UUJGYRHAOHORFC-UHFFFAOYSA-N
• INCHI: 1S/C28H24N2O3/c1-30(19-20-6-5-9-25(18-20)21-7-3-2-4-8-21)28(32)33-26-16-14-23(15-17-26)22-10-12-24(13-11-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31)
• Isomeric SMILES: CN(CC1=CC(=CC=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
• PubChem CID: 90209976
• Molecular Weight: 436.5

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: Benzamides Phenoxy compounds Benzoyl derivatives Carbamate esters Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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(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

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: 43.65, Max Conc. mM: 100
• Molecular Weight: 436.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 436.179 Da
• Monoisotopic Mass: 436.179 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 631.000
• 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