ELN484228 - ≥98% , CAS No.312-63-0

CAS: 312-63-0 Cat. No.: E413638 Formula: C₁₂H₁₀FNO₂S Molecular Weight: 251.28 EC Number: 667-877-5

GRADE & PURITY ≥98%

Synonyms

N-(p-Fluorophenyl)benzenesulfonamide | NSC 164389 | 4′-Fluorobenzenesulfonanilide | N-(4-Fluorophenyl)benzenesulfonamide | N-(4-Fluorophenyl)-benzenesulfonamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

ELN484228 is a cell-permeable blocker that targetsα-synuclein, a key protein in Parkinson’s disease.

Specifications

Synonyms

N-(p-Fluorophenyl)benzenesulfonamide | NSC 164389 | 4′-Fluorobenzenesulfonanilide | N-(4-Fluorophenyl)benzenesulfonamide | N-(4-Fluorophenyl)-benzenesulfonamide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

ELN484228 is a cell penetrant α-synuclein ligand that rescues of α-synuclein induced disruption of vesicle trafficking and dopaminergic neuronal loss and neurite retraction. ELN484228 reverses a-synuclein induced impairment of phagocytosis and protects do

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

504758356

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758356

Canonical Smiles

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F

IUPAC Name

N-(4-fluorophenyl)benzenesulfonamide

InChIKey

AZORQGXJAXEIGC-UHFFFAOYSA-N

INCHI

1S/C12H10FNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F

Molecular Weight

251.28

Reaxy-Rn

2121725

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2121725&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 251.280 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 251.042 Da
• Monoisotopic Mass: 251.042 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 325.000
• 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