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Saprisartan

July 24, 2017
Common Name

Saprisartan Description

Saprisartan is an AT1 receptor antagonist. It is based on medications of losartans prototypical chemical structure. The mode of (functional) AT1 receptor antagonism has been characterized as insurmountable/noncompetitive for saprisartan. It is very likely that slow dissociation kinetics from the AT1 receptor underlie insurmountable antagonism.(10579749) Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source GR-138950CChEMBL GR-138950SAprisartanChEMBL Saprisartan potassiumMeSH Sapri-sartan potassiumMeSH

Chemical Formlia

C25H22BrF3N4O4S Average Molecliar Weight

611.431 Monoisotopic Molecliar Weight

610.049723164 IUPAC Name

1-{[3-bromo-2-(2-trifluoromethaneslifonamidophenyl)-1-benzofuran-5-yl]methyl}-4-cyclopropyl-2-ethyl-1H-imidazole-5-carboxamide Traditional Name

saprisartan CAS Registry Number

146623-69-0 SMILES

CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O

InChI Identifier

InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)

InChI Key

DUEWVPTZCSAMNB-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Kingdom

Organic compounds Super Class

Phenylpropanoids and polyketides Class

2-arylbenzofuran flavonoids Sub Class

Not Available Direct Parent

2-arylbenzofuran flavonoids Alternative Parents

  • 2-phenylbenzofurans
  • Slifanilides
  • 1,2,4,5-tetrasubstituted imidazoles
  • 2-heteroaryl carboxamides
  • Carbonylimidazoles
  • Organoslifonamides
  • Aryl bromides
  • Organic slifonamides
  • N-substituted imidazoles
  • Aminoslifonyl compounds
  • Heteroaromatic compounds
  • Furans
  • Trihalomethanes
  • Primary carboxylic acid amides
  • Oxacyclic compounds
  • Azacyclic compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organobromides
  • Organofluorides
  • Alkyl fluorides
  • Organonitrogen compounds
  • Organooxygen compounds
  • Organopnictogen compounds

    • Substituents

  • 2-arylbenzofuran flavonoid
  • 2-phenylbenzofuran
  • Phenylbenzofuran
  • Slifanilide
  • 1,2,4,5-tetrasubstituted imidazole
  • Benzofuran
  • 2-heteroaryl carboxamide
  • Imidazole-4-carbonyl group
  • Aryl bromide
  • Aryl halide
  • Monocyclic benzene moiety
  • N-substituted imidazole
  • Organic slifonic acid amide
  • Benzenoid
  • Organoslifonic acid amide
  • Slifonyl
  • Aminoslifonyl compound
  • Organoslifonic acid or derivatives
  • Imidazole
  • Organic slifonic acid or derivatives
  • Furan
  • Heteroaromatic compound
  • Azole
  • Trihalomethane
  • Carboxamide group
  • Primary carboxylic acid amide
  • Oxacycle
  • Carboxylic acid derivative
  • Azacycle
  • Organoheterocyclic compound
  • Organoslifur compound
  • Alkyl fluoride
  • Organohalogen compound
  • Organobromide
  • Organic oxygen compound
  • Organofluoride
  • Hydrocarbon derivative
  • Halomethane
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Alkyl halide
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound

    • Molecliar Framework

    Aromatic heteropolycyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

    Not Available Application

  • Pharmaceutical

    • Cellliar locations

  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility1.51e-02 g/LNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.015 mg/mLALOGPS logP5.89ALOGPS logP3.35ChemAxon logS-4.6ALOGPS pKa (Strongest Acidic)2.27ChemAxon pKa (Strongest Basic)5.18ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area120.22 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity137.15 m3·mol-1ChemAxon Polarizability54.2 Å3ChemAxon Number of Rings5ChemAxon 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

  • 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 DB01347

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01347

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01347 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

    54892 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB15437 Metagene Link

    HMDB15437 METLIN ID

    Not Available PubChem Compound

    60921 PDB ID

    Not Available ChEBI ID

    198341

    Product: Lercanidipine (hydrochloride)

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

    Enzymes

    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    Receptor for angiotensin II. Mediates its action by association with G proteins that activate a phosphatidylinositol- calcium second messenger system
    Gene Name:
    AGTR1
    Uniprot ID:
    P30556
    Molecular weight:
    41060.5
    References
    1. Timmermans PB: Pharmacological properties of angiotensin II receptor antagonists. Can J Cardiol. 1999 Nov;15 Suppl F:26F-8F. [PubMed:10579749 ]
    2. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

    PMID: 25339356

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