6-OAU - Moligand™, ≥99% , Agonist of GPR84, CAS No.83797-69-7, Agonist of GPR84

CAS: 83797-69-7 Cat. No.: O412242 Molecular Weight: 239.31

GRADE & PURITY Moligand™, ≥99%

Synonyms

GTPL5846 | 6-n-octylaminouracil

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

6-OAU 6-OAU (GTPL5846, 6-n-octylaminouracil) is a surrogate agonist of G protein-coupled receptor 84 (GPR84) that activates human GPR84 in the presence of Gqi5 chimera in HEK293 cells with EC50 of 105 nM in the PI assay. 6-OAU (GTPL5846, 6-n-octylaminouracil) increases [35S]GTPγS incorporated in Sf9 cell membranes expressing human GPR84-Gαi fusion protein with EC50 of 512 nM.

Targets

hGPR84 (in the PI assay); human GPR84-Gαi fusion protein (Cell-free assay) 105 nM(EC50); 512 nM(EC50)

Specifications

Synonyms

GTPL5846 | 6-n-octylaminouracil

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

6-OAU (GTPL5846, 6-n-octylaminouracil) is a surrogate agonist of G protein-coupled receptor 84 (GPR84) that activates human GPR84 in the presence of Gqi5 chimera in HEK293 cells with EC50 of 105 nM in the PI assay. 6-OAU (GTPL5846, 6-n-octylaminouracil) i

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

AGONIST

Mechanism of action

Agonist of GPR84

Purity

≥99%

Product Properties

• ALogP: 2.354
• hba_count: 2
• HBD Count: 3
• Rotatable Bond: 8

Names and Identifiers

• Pubchem Sid: 504765414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765414
• Canonical Smiles: CCCCCCCCNC1=CC(=O)NC(=O)N1
• IUPAC Name: 6-(octylamino)-1H-pyrimidine-2,4-dione
• InChIKey: PFSWASUQURIOOR-UHFFFAOYSA-N
• INCHI: 1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
• Isomeric SMILES: CCCCCCCCNC1=CC(=O)NC(=O)N1
• Molecular Weight: 239.31
• Reaxy-Rn: 4315462
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4315462&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

GPR84 Tchem G-protein coupled receptor 84 (4 Activities)

Discover Target: GPR84

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 35 mg/mL (146.25 mM); Water: Insoluble; Ethanol: Insoluble;0.25mg/ml in dimethyl formamide
• DMSO(mg / mL) Max Solubility: 35
• DMSO(mM) Max Solubility: 146.25381304584
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 239.310 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 239.163 Da
• Monoisotopic Mass: 239.163 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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