URB602 - 10mM in DMSO , CAS No.565460-15-3

CAS: 565460-15-3 Cat. No.: U424785 Molecular Weight: 295.38 PubChem CID: 10979337

GRADE & PURITY 10mM in DMSO

Synonyms

AM20060242 | HHVUFQYJOSFTEH-UHFFFAOYSA-N | B8371SFA9K | BDBM29337 | URB602, >=98% (HPLC) | Carbamic acid, N-(1,1'-biphenyl)-3-yl-, cyclohexyl ester | DS-12076 | DTXSID801348918 | FT-0675735 | Q7865593 | BCP19101 | cyclohexyl biphenyl-3-ylcarbamate | A1635

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

URB602 is a selective monoacylglycerol lipase (MGL) inhibitor, which inhibits rat brain MGL with IC50 of 28±4 μM through a noncompetitive mechanism.

Specifications

Synonyms

AM20060242 | HHVUFQYJOSFTEH-UHFFFAOYSA-N | B8371SFA9K | BDBM29337 | URB602, >=98% (HPLC) | Carbamic acid, N-(1, 1'-biphenyl)-3-yl-, cyclohexyl ester | DS-12076 | DTXSID801348918 | FT-0675735 | Q7865593 | BCP19101 | cyclohexyl biphenyl-3-ylcarbamate | A1635

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Pubchem Sid: 528767596
• Canonical Smiles: C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3
• IUPAC Name: cyclohexyl N-(3-phenylphenyl)carbamate
• InChIKey: HHVUFQYJOSFTEH-UHFFFAOYSA-N
• INCHI: 1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
• Isomeric SMILES: C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 10979337
• Molecular Weight: 295.38

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: Phenylcarbamic acid esters Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenylcarbamic acid ester - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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(Human)

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)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 295.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 295.157 Da
• Monoisotopic Mass: 295.157 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 345.000
• 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