Posted inUncategorized

Proflavine

July 24, 2017
Common Name

Proflavine Description

Proflavine is only found in individuals that have used or taken this drug. It is a topical antiseptic used mainly in wound dressings. [PubChem]Proflavine acts by interchelating DNA (intercalation), thereby disrupting DNA synthesis and leading to high levels of mutation in the copied DNA strands. This prevents bacterial reproduction. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2,8-DiaminoacridineChEBI 3,6-AcridinediamineChEBI ProflavinChEBI ProflavinaChEBI ProflavinumChEBI 3,6 diamino AcridineMeSH Acridine, 3,6-diaminoMeSH Hemislifate, proflavineMeSH Proflavine hemislifateMeSH 3,6 DiaminoacridineMeSH 3,6-diamino AcridineMeSH 3,6-DiaminoacridineMeSH

Chemical Formlia

C13H11N3 Average Molecliar Weight

209.2465 Monoisotopic Molecliar Weight

209.095297367 IUPAC Name

acridine-3,6-diamine Traditional Name

proflavine CAS Registry Number

92-62-6 SMILES

NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1

InChI Identifier

InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2

InChI Key

WDVSHHCDHLJJJR-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring. Kingdom

Chemical entities Super Class

Organic compounds Class

Organoheterocyclic compounds Sub Class

Quinolines and derivatives Direct Parent

Acridines Alternative Parents

  • Aminoquinolines and derivatives
  • Pyridines and derivatives
  • Primary aromatic amines
  • Benzenoids
  • Heteroaromatic compounds
  • Azacyclic compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives

    • Substituents

  • Acridine
  • Aminoquinoline
  • Benzenoid
  • Pyridine
  • Primary aromatic amine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound

    • Molecliar Framework

    Aromatic heteropolycyclic compounds External Descriptors

  • aminoacridines (CHEBI:8452 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Infective Agents, Local
  • Anti-Infectives, local

    • Application

  • Pharmaceutical

    • Cellliar locations

  • Cytoplasm
  • Extracellliar

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting Point285 °CNot Available Boiling PointNot AvailableNot Available Water Solubility1.04e-01 g/LNot Available LogP1.4Not Available

    Predicted Properties

    Property Value Source Water Solubility0.1 mg/mLALOGPS logP2.1ALOGPS logP1.85ChemAxon logS-3.3ALOGPS pKa (Strongest Basic)8.32ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area64.93 Å2ChemAxon Rotatable Bond Count0ChemAxon Refractivity65.46 m3·mol-1ChemAxon Polarizability23.17 Å3ChemAxon Number of Rings3ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key 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

  • Cytoplasm
  • Extracellliar

    • 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 DB01123

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01123

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01123 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

    6832 KEGG Compound ID

    C11181 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Proflavine NuGOwiki Link

    HMDB15255 Metagene Link

    HMDB15255 METLIN ID

    Not Available PubChem Compound

    7099 PDB ID

    PRL ChEBI ID

    8452

    Product: 6-FAM SE

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

    PMID: 26587591

    Last updated on