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Sulfapyridine

July 24, 2017
Common Name

Slifapyridine Description

Slifapyridine is only found in individuals that have used or taken this drug. It is an antibacterial, potentially toxic, used to treat certain skin diseases. [PubChem] Slifapyridine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid by means of processing the substrate para-aminobenzoic acid (PABA). Dihydropteroate synthetase activity is vital in the synthesis of folate, and folate is required for cells to make nucleic acids, such as DNA or RNA. So if DNA moleclies cannot be built, the cell cannot divide. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2-(P-Aminobenzenesliphonamido)pyridineChEBI 2-SlifanilamidopyridinChEBI 2-SlifanilamidopyridineChEBI 2-SlifanilylaminopyridineChEBI 2-SlifapyridineChEBI 4-(2-Pyridinylslifonyl)anilineChEBI 4-[(2-pyridylamino)Slifonyl]anilineChEBI 4-amino-N,2-PyridinylbenzeneslifonamideChEBI 4-amino-N-Pyridin-2-yl-benzeneslifonamideChEBI N-2-PyridylslifanilamideChEBI N(1)-2-PyridylslifanilamideChEBI N(1)-PyridylslifanilamideChEBI SolfapiridinaChEBI SlifapiridinaChEBI SlifapyridinumChEBI SliphapyridineChEBI 2-(P-Aminobenzeneslifonamido)pyridineGenerator 2-SliphanilamidopyridinGenerator 2-SliphanilamidopyridineGenerator 2-SliphanilylaminopyridineGenerator 2-SliphapyridineGenerator 4-(2-Pyridinylsliphonyl)anilineGenerator 4-[(2-pyridylamino)Sliphonyl]anilineGenerator 4-amino-N,2-PyridinylbenzenesliphonamideGenerator 4-amino-N-Pyridin-2-yl-benzenesliphonamideGenerator N-2-PyridylsliphanilamideGenerator N(1)-2-PyridylsliphanilamideGenerator N(1)-PyridylsliphanilamideGenerator SliphapiridinaGenerator SliphapyridinumGenerator N1-2-PyridylslifanilamideHMDB SliphapyridinMeSH

Chemical Formlia

C11H11N3O2S Average Molecliar Weight

249.289 Monoisotopic Molecliar Weight

249.057197301 IUPAC Name

4-amino-N-(pyridin-2-yl)benzene-1-slifonamide Traditional Name

ronin CAS Registry Number

144-83-2 SMILES

NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1

InChI Identifier

InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)

InChI Key

GECHUMIMRBOMGK-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as aminobenzeneslifonamides. These are organic compounds containing a benzeneslifonamide moiety with an amine group attached to the benzene ring. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Benzene and substituted derivatives Direct Parent

Aminobenzeneslifonamides Alternative Parents

  • Benzeneslifonyl compounds
  • Aniline and substituted anilines
  • Pyridines and derivatives
  • Primary aromatic amines
  • Organoslifonamides
  • Imidolactams
  • Heteroaromatic compounds
  • Aminoslifonyl compounds
  • Azacyclic compounds
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Aminobenzeneslifonamide
  • Benzeneslifonyl group
  • Aniline or substituted anilines
  • Primary aromatic amine
  • Pyridine
  • Organoslifonic acid amide
  • Imidolactam
  • Organic slifonic acid or derivatives
  • Organoslifonic acid or derivatives
  • Slifonyl
  • Aminoslifonyl compound
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Azacycle
  • Organic oxide
  • Organic nitrogen compound
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organoslifur compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

  • substituted aniline (CHEBI:132842 )
  • slifonamide (CHEBI:132842 )
  • pyridines (CHEBI:132842 )
  • slifonamide antibiotic (CHEBI:132842 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Infective Agents
  • Anti-Infectives
  • Dermatitis herpetiformis suppressant
  • Dermatologic Agents
  • Slifonamides

    • Application

  • Pharmaceutical

    • Cellliar locations

  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting Point192 °CNot Available Boiling PointNot AvailableNot Available Water Solubility2.35e-01 g/LNot Available LogP0.9Not Available

    Predicted Properties

    Property Value Source Water Solubility0.23 mg/mLALOGPS logP0.84ALOGPS logP1.01ChemAxon logS-3ALOGPS pKa (Strongest Acidic)6.24ChemAxon pKa (Strongest Basic)2.63ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area85.08 Å2ChemAxon Rotatable Bond Count2ChemAxon Refractivity65.75 m3·mol-1ChemAxon Polarizability24.97 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0a59-4920000000-ddd28eca3499faaddfb1View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4i-0900000000-76404b7958aaaddb00c3View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0udi-0090000000-b794dcd70eedfd04a9e8View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0udi-1690000000-d32f010faae95dd6e5ddView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4i-3900000000-b89b3d587bf8893e343aView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4l-7900000000-e9c1ce1a2bfb8587016bView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-052f-9600000000-c2b3b96e2d3db5fc940fView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-05mo-9400000000-6eeb6714b222ec20731eView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0udi-0090000000-14bd7d3423dbbc1677f5View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0udi-1690000000-ec5ad1677ec436c15076View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4i-3900000000-3221fbcec55c511e58a0View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4i-7900000000-4959721f5e57ee1708c5View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-052f-9600000000-cb7f712bbbba5e75ed73View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-05mo-9400000000-542a7f83b7c124aeaa3bView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a59-0900000000-ebce9cc4e8380518ddecView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4l-5900000000-c36697c8e5b4522ccfc5View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-052f-9600000000-07faf61cc06e82c703a6View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a4i-0900000000-2ae47a77fd32fcf2200eView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , positivesplash10-0a59-0900000000-4653688bc5b5c91f5a27View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Membrane

    • Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB00891

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB00891

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB00891 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    5145 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Slifapyridine NuGOwiki Link

    HMDB15028 Metagene Link

    HMDB15028 METLIN ID

    Not Available PubChem Compound

    5336 PDB ID

    Not Available ChEBI ID

    132842

    Product: YH240-EE

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Download (PDF) General References Not Available

    Enzymes

    General function:
    Involved in monooxygenase activity
    Specific function:
    Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
    Gene Name:
    CYP2C9
    Uniprot ID:
    P11712
    Molecular weight:
    55627.365
    References
    1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

    PMID: 23926335

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