Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:41 UTC
HMDB IDHMDB0014632
Secondary Accession Numbers
  • HMDB14632
Metabolite Identification
Common NameSotalol
DescriptionSotalol is only found in individuals that have used or taken this drug. It is an adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias (PubChem). Sotalol has both beta-adrenoreceptor blocking (Vaughan Williams Class I) and cardiac action potential duration prolongation (Vaughan Williams Class I) antiarrhythmic properties. Sotalol is a racemic mixture of d- and l-sotalol. Both isomers have similar Class I antiarrhythmic effects, while the l-isomer is responsible for virtually all of the beta-blocking activity. Sotalol inhibits response to adrenergic stimuli by competitively blocking β1-adrenergic receptors within the myocardium and β2-adrenergic receptors within bronchial and vascular smooth muscle. The electrophysiologic effects of sotalol may be due to its selective inhibition of the rapidly activating component of the potassium channel involved in the repolarization of cardiac cells. The class II electrophysiologic effects are caused by an increase in sinus cycle length (slowed heart rate), decreased AV nodal conduction, and increased AV nodal refractoriness, while the class III electrophysiological effects include prolongation of the atrial and ventricular monophasic action potentials, and effective refractory period prolongation of atrial muscle, ventricular muscle, and atrio-ventricular accessory pathways (where present) in both the anterograde and retrograde directions.
Structure
Data?1582753201
Synonyms
ValueSource
4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilideChEBI
beta-CardoneChEBI
SotalolumChEBI
Darob miteKegg
4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulphonanilideGenerator
b-CardoneGenerator
Β-cardoneGenerator
Sotalol HCLHMDB
Sotalol hydrochlorideMeSH, HMDB
Sotalol monohydrochlorideMeSH, HMDB
DarobMeSH, HMDB
Knoll pharmaceutical brand OF sotalolMeSH, HMDB
Chemical FormulaC12H20N2O3S
Average Molecular Weight272.364
Monoisotopic Molecular Weight272.119463206
IUPAC NameN-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide
Traditional Namesotalol
CAS Registry Number3930-20-9
SMILES
CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
InChI Identifier
InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChI KeyZBMZVLHSJCTVON-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassSulfanilides
Direct ParentSulfanilides
Alternative Parents
Substituents
  • Sulfanilide
  • Aralkylamine
  • Organic sulfonic acid amide
  • Organosulfonic acid amide
  • Aminosulfonyl compound
  • Sulfonyl
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Secondary aliphatic amine
  • Secondary amine
  • Organopnictogen compound
  • Alcohol
  • Organic nitrogen compound
  • Aromatic alcohol
  • Organic oxygen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point206.5 - 207 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.78 g/LNot Available
LogP1.1Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+CBM167.030932474
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.78 g/LALOGPS
logP0.85ALOGPS
logP-0.4ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)10.07ChemAxon
pKa (Strongest Basic)9.43ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area78.43 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity71.12 m³·mol⁻¹ChemAxon
Polarizability29.34 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+166.24231661259
DarkChem[M-H]-164.37731661259
DeepCCS[M+H]+168.16930932474
DeepCCS[M-H]-165.81130932474
DeepCCS[M-2H]-198.69830932474
DeepCCS[M+Na]+174.26230932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SotalolCC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C13660.1Standard polar33892256
SotalolCC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C12284.4Standard non polar33892256
SotalolCC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C12287.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sotalol,1TMS,isomer #1CC(C)NCC(O[Si](C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C12273.9Semi standard non polar33892256
Sotalol,1TMS,isomer #2CC(C)N(CC(O)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C2438.2Semi standard non polar33892256
Sotalol,1TMS,isomer #3CC(C)NCC(O)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C12270.9Semi standard non polar33892256
Sotalol,2TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C2427.7Semi standard non polar33892256
Sotalol,2TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C2425.2Standard non polar33892256
Sotalol,2TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C2905.5Standard polar33892256
Sotalol,2TMS,isomer #2CC(C)NCC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C12162.8Semi standard non polar33892256
Sotalol,2TMS,isomer #2CC(C)NCC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C12394.4Standard non polar33892256
Sotalol,2TMS,isomer #2CC(C)NCC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C12796.3Standard polar33892256
Sotalol,2TMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2359.6Semi standard non polar33892256
Sotalol,2TMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2570.3Standard non polar33892256
Sotalol,2TMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2974.7Standard polar33892256
Sotalol,3TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2358.1Semi standard non polar33892256
Sotalol,3TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2565.7Standard non polar33892256
Sotalol,3TMS,isomer #1CC(C)N(CC(O[Si](C)(C)C)C1=CC=C(N([Si](C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C2747.3Standard polar33892256
Sotalol,1TBDMS,isomer #1CC(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C12523.7Semi standard non polar33892256
Sotalol,1TBDMS,isomer #2CC(C)N(CC(O)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C2716.5Semi standard non polar33892256
Sotalol,1TBDMS,isomer #3CC(C)NCC(O)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C12512.2Semi standard non polar33892256
Sotalol,2TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C2962.8Semi standard non polar33892256
Sotalol,2TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C2918.7Standard non polar33892256
Sotalol,2TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(NS(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C3055.6Standard polar33892256
Sotalol,2TBDMS,isomer #2CC(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C12645.5Semi standard non polar33892256
Sotalol,2TBDMS,isomer #2CC(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C12885.7Standard non polar33892256
Sotalol,2TBDMS,isomer #2CC(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C12955.0Standard polar33892256
Sotalol,2TBDMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C2889.5Semi standard non polar33892256
Sotalol,2TBDMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C3007.0Standard non polar33892256
Sotalol,2TBDMS,isomer #3CC(C)N(CC(O)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C3097.5Standard polar33892256
Sotalol,3TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C3109.9Semi standard non polar33892256
Sotalol,3TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C3286.4Standard non polar33892256
Sotalol,3TBDMS,isomer #1CC(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)C=C1)[Si](C)(C)C(C)(C)C2961.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0zn9-9570000000-d4b8eccd09c6d9bdc80c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (1 TMS) - 70eV, Positivesplash10-0uk9-5982000000-a7262c3ec90ea5ecf7a82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sotalol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-0udi-0090000000-b3dca1dbda7d2457ee972017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-00di-0090000000-a29ae691c7c3aac0cd252017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-00di-0090000000-3826232ebd5c11e1fb092017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-0uk9-0590000000-c1cd421f642943a3e40d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-00di-0090000000-62e0058eee644436c9742017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-00di-0090000000-1c2e1183f392f02dd2f32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-00di-0900000000-467f723fa9c5b11ac3a02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , negative-QTOFsplash10-0udi-0090000000-ec702c0822212cb2e7642017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-0a4i-0090000000-3fe820b16cdb741dfa3e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-0ab9-0090000000-ba1b9c76db4e9239d8ff2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-0a4i-0090000000-9855a87a9a317eccb37e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-03e9-0690000000-0c5b752605586d60828a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-001i-0910000000-399c8ea4647bc5a247812017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-001i-0900000000-f44d2d18cd4dfd9b27562017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-053r-0900000000-422f178f83cadcda84d72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-0ab9-0090000000-06e3079747baad9d60872017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-0a4i-0090000000-69df046b345e5e50d7422017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-03e9-0690000000-94ba050da9e6a24f29b12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sotalol LC-ESI-ITFT , positive-QTOFsplash10-001i-0910000000-0ef0a4777ff5e99c84622017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 10V, Positive-QTOFsplash10-0adi-0590000000-09098535885ecdd33e062016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 20V, Positive-QTOFsplash10-01t9-0910000000-fe5e3cea1910aa4944932016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 40V, Positive-QTOFsplash10-0079-4900000000-f69c1721a736a690e1f82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 10V, Negative-QTOFsplash10-00fr-7090000000-8f2d5c2fc4cd2a32e84e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 20V, Negative-QTOFsplash10-004i-9120000000-51d630654bc798397a722016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sotalol 40V, Negative-QTOFsplash10-004i-9000000000-c9c1175194f72014c1202016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00489 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00489 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00489
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5063
KEGG Compound IDC07309
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSotalol
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID63622
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Waldo AL, Camm AJ, deRuyter H, Friedman PL, MacNeil DJ, Pauls JF, Pitt B, Pratt CM, Schwartz PJ, Veltri EP: Effect of d-sotalol on mortality in patients with left ventricular dysfunction after recent and remote myocardial infarction. The SWORD Investigators. Survival With Oral d-Sotalol. Lancet. 1996 Jul 6;348(9019):7-12. [PubMed:8691967 ]

Enzymes

General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. This receptor binds epinephrine and norepinephrine with approximately equal affinity
Gene Name:
ADRB1
Uniprot ID:
P08588
Molecular weight:
51322.1
References
  1. Lowe MD, Lynham JA, Grace AA, Kaumann AJ: Comparison of the affinity of beta-blockers for two states of the beta 1-adrenoceptor in ferret ventricular myocardium. Br J Pharmacol. 2002 Jan;135(2):451-61. [PubMed:11815381 ]
  2. Joseph SS, Lynham JA, Colledge WH, Kaumann AJ: Binding of (-)-[3H]-CGP12177 at two sites in recombinant human beta 1-adrenoceptors and interaction with beta-blockers. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):525-32. Epub 2004 Apr 2. [PubMed:15060759 ]
  3. Yalcin I, Choucair-Jaafar N, Benbouzid M, Tessier LH, Muller A, Hein L, Freund-Mercier MJ, Barrot M: beta(2)-adrenoceptors are critical for antidepressant treatment of neuropathic pain. Ann Neurol. 2009 Feb;65(2):218-25. doi: 10.1002/ana.21542. [PubMed:19259968 ]
  4. Doggrell SA: The effects of (+/-)-, (+)-, and (-)-atenolol, sotalol, and amosulalol on the rat left atria and portal vein. Chirality. 1993;5(1):8-14. [PubMed:8095397 ]
  5. Juberg EN, Minneman KP, Abel PW: Beta 1- and beta 2-adrenoceptor binding and functional response in right and left atria of rat heart. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):193-202. [PubMed:2865685 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately 30-fold greater affinity than it does norepinephrine
Gene Name:
ADRB2
Uniprot ID:
P07550
Molecular weight:
46458.3
References
  1. Lowe MD, Lynham JA, Grace AA, Kaumann AJ: Comparison of the affinity of beta-blockers for two states of the beta 1-adrenoceptor in ferret ventricular myocardium. Br J Pharmacol. 2002 Jan;135(2):451-61. [PubMed:11815381 ]
  2. Joseph SS, Lynham JA, Colledge WH, Kaumann AJ: Binding of (-)-[3H]-CGP12177 at two sites in recombinant human beta 1-adrenoceptors and interaction with beta-blockers. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):525-32. Epub 2004 Apr 2. [PubMed:15060759 ]
  3. Yalcin I, Choucair-Jaafar N, Benbouzid M, Tessier LH, Muller A, Hein L, Freund-Mercier MJ, Barrot M: beta(2)-adrenoceptors are critical for antidepressant treatment of neuropathic pain. Ann Neurol. 2009 Feb;65(2):218-25. doi: 10.1002/ana.21542. [PubMed:19259968 ]
  4. Doggrell SA: The effects of (+/-)-, (+)-, and (-)-atenolol, sotalol, and amosulalol on the rat left atria and portal vein. Chirality. 1993;5(1):8-14. [PubMed:8095397 ]
  5. Juberg EN, Minneman KP, Abel PW: Beta 1- and beta 2-adrenoceptor binding and functional response in right and left atria of rat heart. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):193-202. [PubMed:2865685 ]
General function:
Involved in ion channel activity
Specific function:
Pore-forming (alpha) subunit of voltage-gated inwardly rectifying potassium channel. Channel properties are modulated by cAMP and subunit assembly. Mediates the rapidly activating component of the delayed rectifying potassium current in heart (IKr). Isoform 3 has no channel activity by itself, but modulates channel characteristics when associated with isoform 1
Gene Name:
KCNH2
Uniprot ID:
Q12809
Molecular weight:
126653.5
References
  1. Shimizu W, Antzelevitch C: Effects of a K(+) channel opener to reduce transmural dispersion of repolarization and prevent torsade de pointes in LQT1, LQT2, and LQT3 models of the long-QT syndrome. Circulation. 2000 Aug 8;102(6):706-12. [PubMed:10931813 ]
  2. Numaguchi H, Mullins FM, Johnson JP Jr, Johns DC, Po SS, Yang IC, Tomaselli GF, Balser JR: Probing the interaction between inactivation gating and Dd-sotalol block of HERG. Circ Res. 2000 Nov 24;87(11):1012-8. [PubMed:11090546 ]
  3. Wolpert C, Schimpf R, Giustetto C, Antzelevitch C, Cordeiro J, Dumaine R, Brugada R, Hong K, Bauersfeld U, Gaita F, Borggrefe M: Further insights into the effect of quinidine in short QT syndrome caused by a mutation in HERG. J Cardiovasc Electrophysiol. 2005 Jan;16(1):54-8. [PubMed:15673388 ]
  4. Wolpert C, Schimpf R, Veltmann C, Giustetto C, Gaita F, Borggrefe M: Clinical characteristics and treatment of short QT syndrome. Expert Rev Cardiovasc Ther. 2005 Jul;3(4):611-7. [PubMed:16076272 ]
  5. Fedida D, Orth PM, Hesketh JC, Ezrin AM: The role of late I and antiarrhythmic drugs in EAD formation and termination in Purkinje fibers. J Cardiovasc Electrophysiol. 2006 May;17 Suppl 1:S71-S78. [PubMed:16686685 ]