Zinquin ethyl ester - ≥99% , CAS No.181530-09-6

CAS: 181530-09-6 Cat. No.: Z274867 Molecular Weight: 414.47 PubChem CID: 3638243

GRADE & PURITY ≥99%

Synonyms

Ethyl 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetate | Zinquinethylester | FT-0675912 | AKOS027250764 | BDBM50429090 | DTXSID60171164 | SB73119 | SCHEMBL18132175 | Zinquin ethyl ester, >=95% (HPLC), solid | 2-Methyl-8-(4-methylpheny

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

Ethyl 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetate | Zinquinethylester | FT-0675912 | AKOS027250764 | BDBM50429090 | DTXSID60171164 | SB73119 | SCHEMBL18132175 | Zinquin ethyl ester, >=95% (HPLC), solid | 2-Methyl-8-(4-methylpheny

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Cell-permeable Zn 2+ selective fluorescent probe. Labels micromolar concentrations of intracellular Zn 2+ ions with an intense extranuclear fluorescence emitting in the blue range.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504762647
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762647
• Canonical Smiles: CCOC(=O)COC1=CC(=C2C(=C1)C=CC(=N2)C)NS(=O)(=O)C3=CC=C(C=C3)C
• IUPAC Name: ethyl 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetate
• InChIKey: KCASTCXJTDRDFT-UHFFFAOYSA-N
• INCHI: 1S/C21H22N2O5S/c1-4-27-20(24)13-28-17-11-16-8-7-15(3)22-21(16)19(12-17)23-29(25,26)18-9-5-14(2)6-10-18/h5-12,23H,4,13H2,1-3H3
• Isomeric SMILES: CCOC(=O)COC1=CC(=C2C(=C1)C=CC(=N2)C)NS(=O)(=O)C3=CC=C(C=C3)C
• PubChem CID: 3638243
• Molecular Weight: 414.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: P-toluenesulfonamides Sulfanilides Quinolines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers Alkyl aryl ethers Methylpyridines Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: P-toluenesulfonamide - Phenoxyacetate - Benzenesulfonamide - Quinoline - Sulfanilide - Tosyl compound - Benzenesulfonyl group - Phenol ether - Alkyl aryl ether - Methylpyridine - Toluene - Organosulfonic acid amide - Pyridine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

• Solubility: Soluble in DMSO
• Molecular Weight: 414.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 414.125 Da
• Monoisotopic Mass: 414.125 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 642.000
• 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