ELN484228 - 10mM in DMSO , CAS No.312-63-0

CAS: 312-63-0 Cat. No.: E423219 Molecular Weight: 251.28 EC Number: 667-877-5

GRADE & PURITY 10mM in DMSO

Synonyms

N-(4-fluorophenyl)benzenesulfonamide|312-63-0|ELN484228|4'-fluorobenzenesulfonanilide|NSC164389|ELN 484228|Cambridge id 5265852|CBDivE_015342|CHEMBL367580|SCHEMBL2568291|DTXSID40304155|BCP28956|MFCD00091019|s6798|STK401855|AKOS000383212|N-(4-Fluoro-phenyl

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

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

Specifications

Synonyms

N-(4-fluorophenyl)benzenesulfonamide | 312-63-0 | ELN484228 | 4'-fluorobenzenesulfonanilide | NSC164389 | ELN 484228 | Cambridge id 5265852 | CBDivE_015342 | CHEMBL367580 | SCHEMBL2568291 | DTXSID40304155 | BCP28956 | MFCD00091019 | s6798 | STK401855 | AKOS000383212 | N-(4-Fluoro-phenyl

Specifications & Purity

10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• 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