Oxycinchophen - Moligand™, ≥97% , CAS No.485-89-2

CAS: 485-89-2 Cat. No.: O693450 Molecular Weight: 265.26 EC Number: 207-624-4 PubChem CID: 10239

GRADE & PURITY Moligand™, ≥97%

Synonyms

3-Hydroxy-2-phenylquinoline-4-carboxylic acid | Sintofene | Reumartril | Magnophenyl | Chinoxone

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Oxycinchophen is a quinoline-like organic, anti-rheumatic compound. It has been used to study P- selectin antagonistic activity, DHOD inhibitory activity, and the effects of anti-inflammatory drugs on vascular smooth muscle.

Specifications

Synonyms

3-Hydroxy-2-phenylquinoline-4-carboxylic acid | Sintofene | Reumartril | Magnophenyl | Chinoxone

Specifications & Purity

Moligand™, ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Product Properties

• ALogP: 3.6

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O
• IUPAC Name: 3-hydroxy-2-phenylquinoline-4-carboxylic acid
• InChIKey: XAPRFLSJBSXESP-UHFFFAOYSA-N
• INCHI: 1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O
• PubChem CID: 10239
• Molecular Weight: 265.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Quinoline carboxylic acids Phenylpyridines Hydroxyquinolines Pyridinecarboxylic acids Hydroxypyridines Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-4-carboxylic acid - 2-phenylpyridine - Hydroxyquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Hydroxypyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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)

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

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

SELPLG Tbio P-selectin glycoprotein ligand 1 (134 Activities)

Discover Target: SELPLG

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

PDE10A Tclin Phosphodiesterase 10A (5542 Activities)

Discover Target: PDE10A

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

Associated Targets(non-human)

Selp P-selectin (7 Activities)

Discover Target: Selp

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 265.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 265.074 Da
• Monoisotopic Mass: 265.074 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 354.000
• 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