WAY-359594 - 10mM in DMSO , CAS No.33495-39-5

CAS: 33495-39-5 Cat. No.: W423449 Molecular Weight: 371.43174 PubChem CID: 4439552

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Inhibiting G protein coupled receptor 6 kinase

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: 4.282
• HBD Count: 2
• Rotatable Bond: 6

Names and Identifiers

• Canonical Smiles: CCOC1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4
• IUPAC Name: 7-[(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
• InChIKey: YKIYGNLLHIJAIA-UHFFFAOYSA-N
• INCHI: 1S/C23H21N3O2/c1-2-28-18-11-9-17(10-12-18)26-22(20-7-3-4-14-24-20)19-13-8-16-6-5-15-25-21(16)23(19)27/h3-15,22,26-27H,2H2,1H3
• Isomeric SMILES: CCOC1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4
• PubChem CID: 4439552
• Molecular Weight: 371.43174

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Aminophenyl ethers Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Aminophenyl ether - Phenoxy compound - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 371.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 371.163 Da
• Monoisotopic Mass: 371.163 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 469.000
• 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