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 Molecular Weight: 445.51 PubChem CID: 11751175

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Quin C1 is a highly specific and effective agonist of formyl peptide receptor 2 (FPR2/ALX). Quin-C1 significantly reduces neutrophil and lymphocyte counts in BALF and reduces TNF- α、 IL-1 β、 KC and TGF- β Expression of 1 and reduction of collagen depositi

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 FPR2/ALX

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC
• PubChem CID: 11751175
• MeSH Entry Terms: 4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide;Quin-C1
• Molecular Weight: 445.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 44.55, Max Conc. mM: 100
• Molecular Weight: 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