Eprosartan Mesylate(SKF-108566J) - 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 Molecular Weight: 520.62 EC Number: 658-063-0

GRADE & PURITY Moligand™, ≥99%

Synonyms

TEVETEN HCT COMPONENT EPROSARTAN MESYLATE | CHEBI:48409 | Eprosartan mesilate | SCHEMBL41396 | DTXCID5024217 | MFCD08141807 | 2-THIOPHENEPROPANOIC ACID, alpha-((2-BUTYL-1-((4-CARBOXYPHENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-, MONOMETHANESULPHONATE

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Eprosartan is a nonpeptide angiotensin II receptor antagonist, [3H]-eprosartan binds to the AT1 receptor with KD of 0.83 nM in rat vascular smooth muscle cells.

Specifications

Synonyms

TEVETEN HCT COMPONENT EPROSARTAN MESYLATE | CHEBI:48409 | Eprosartan mesilate | SCHEMBL41396 | DTXCID5024217 | MFCD08141807 | 2-THIOPHENEPROPANOIC ACID, alpha-((2-BUTYL-1-((4-CARBOXYPHENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-, MONOMETHANESULPHONATE

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Type-1 angiotensin II receptor antagonist

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504763433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763433
• Canonical Smiles: 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+
• Isomeric 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 Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 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).
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 248 °C
• Molecular Weight: 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

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