Eprosartan mesilato - Moligand™,≥99% , Type-1 angiotensin II receptor antagonist, CAS No.144143-96-4, Type-1 angiotensin II receptor antagonist

CAS: 144143-96-4 Cat. No.: E129480 Formula: C₂₃H₂₄N₂O₄S·CH₄O₃S Peso molecolare: 520.62 Numero EC: 658-063-0

GRADE & PURITY Moligand™, ≥99%

Synonyms

TEVETEN HCT COMPONENTE EPROSARTAN MESILATO | CHEBI:48409 | Eprosartan mesilato | SCHEMBL41396 | DTXCID5024217 | MFCD08141807 | ACIDO 2-THIOFENEPROPANOICO, alfa-((2-BUTYL-1-((4-CARBOXYPHENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-, MONOMETANESULFONATO

Storage

Store at 2-8°C

Shipped In

Normale

Panoramica

L'eprosartan è un antagonista non peptidico del recettore dell'angiotensina II; [3H]-eprosartan si lega al recettore AT1 con una KD di 0,83 nM nelle cellule muscolari lisce vascolari di ratto.

Specifications

Sinonimi

TEVETEN HCT COMPONENTE EPROSARTAN MESILATO | CHEBI:48409 | Eprosartan mesilato | SCHEMBL41396 | DTXCID5024217 | MFCD08141807 | ACIDO 2-THIOFENEPROPANOICO, alfa-((2-BUTYL-1-((4-CARBOXYPHENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-, MONOMETANESULFONATO

Specifiche e purezza

Moligand™,≥99%

Meccanismi biochimici e fisiologici

Eprosartan mesylate (SKF-108566J) is a selective, competitive and nonpeptid angiotensin II receptor antagonist, used as an antihypertensive. Eprosartan mesylate binds angiotensin II receptor with IC50s of 9.2 nM and 3.9 nM in rat and human adrenal cortic

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Normale

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Type-1 angiotensin II receptor antagonist

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504763433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763433
• Sorrisi canonici: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O.CS(=O)(=O)O
• IUPAC Name: 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid;methanesulfonic acid
• InChIKey: DJSLTDBPKHORNY-XMMWENQYSA-N
• INCHI: 1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+
• Isomeri SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O.CS(=O)(=O)O
• WGK Germania: 3
• Peso molecolare: 520.62
• Reaxy-Rn: 14539452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14539452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Imidazolyl carboxylic acids and derivatives Benzoyl derivatives 1,2,5-trisubstituted imidazoles N-substituted imidazoles Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzoic acid - 1,2,5-trisubstituted-imidazole - Benzoyl - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Dicarboxylic acid or derivatives - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: methanesulfonate salt

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

Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (104 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), ethanol (20 mM), DMF (~30 mg/ml), and 1: 1 solution of DMSO: PBS (pH 7.2) (~0.5 mg/ml).
• Sensibilità: Moisture sensitive.
• Punto di fusione (°C): 248 °C
• Peso molecolare: 520.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 520.134 Da
• Monoisotopic Mass: 520.134 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 711.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3