Quin C1 - Moligand™, ≥98%(HPLC) , Agonist of FPR2/ALX, CAS No.786706-21-6, Agonist of FPR2/ALX

CAS: 786706-21-6 Cat. No.: Q287094 Formule: C₂₆H₂₇N₃O₄ Poids moléculaire: 445.51 PubChem CID: 11751175

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4-Butoxy-N-[1,4-dihydro-2-(4-méthoxyphényl)-4-oxo-3(2H)-quinazolinyl]benzamide

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

4-Butoxy-N-[1,4-dihydro-2-(4-méthoxyphényl)-4-oxo-3(2H)-quinazolinyl]benzamide

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Quin C1 est un agoniste hautement spécifique et efficace du récepteur 2 du peptide formique (FPR2/ALX). Quin-C1 réduit significativement le nombre de neutrophiles et de lymphocytes dans le LBA et réduit l'expression du TNF- α、 IL-1 β、 KC et du TGF- β 1 et

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of FPR2/ALX

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

528766833

Sourires canoniques

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

IUPAC Name

4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

InChIKey

XORVAHQXRDLSFT-UHFFFAOYSA-N

INCHI

1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)

Isomères SMILES

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

PubChem CID

11751175

Termes d'entrée MeSH

4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide;Quin-C1

Poids moléculaire

445.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Benzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

Cibles associées (humaines)

FPR2 Tchem N-formyl peptide receptor 2 (2 Activities)

Discover Target: FPR2

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

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 44.55, Max Conc. mM: 100
• Poids moléculaire: 445.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 445.2 Da
• Monoisotopic Mass: 445.2 Da
• Topological Polar Surface Area: 79.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1