6-OAU - Moligand™, 10mM in DMSO , Agonist of GPR84, CAS No.83797-69-7, Agonist of GPR84

CAS: 83797-69-7 Cat. No.: O426176 분자식: C₁₂H₂₁N₃O₂ 분자량: 239.31

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

GTPL5846 | 6-n-octylaminouracil

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

동의어

GTPL5846 | 6-n-octylaminouracil

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of GPR84

제품 특성

ALogP

2.354

hba_count

2

HBD 수

3

회전 가능한 결합

8

이름과 식별자

Pubchem Sid

528762139

정식 스마일

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)

이성체 SMILES

CCCCCCCCNC1=CC(=O)NC(=O)N1

분자량

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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 35
• DMSO(mM) 최대 용해도: 146.25381304584
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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