Eprosartan Mesylate(SKF-108566J) - 10mM in DMSO , Type-1 angiotensin II receptor antagonist, CAS No.144143-96-4, Type-1 angiotensin II receptor antagonist

CAS: 144143-96-4 Cat. No.: E421622 분자식: C₂₃H₂₄N₂O₄S·CH₄O₃S 분자량: 520.62 EC 번호: 658-063-0

GRADE & PURITY 10mM in DMSO

Synonyms

EPROSARTAN MESYLATE|144143-96-4|Teveten|Eprosartan mesilate|eprosartan methanesulfonate|Eprosartan Monomethanesulfonate|SK&F 108566-J|Eprosartan (mesylate)|UNII-8N2L1NX8S3|SK&F-108566-J|8N2L1NX8S3|DTXSID7044217|CHEBI:48409|(E)-2-Butyl-1-(p-carboxybenzyl)-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

동의어

EPROSARTAN MESYLATE | 144143-96-4 | Teveten | Eprosartan mesilate | eprosartan methanesulfonate | Eprosartan Monomethanesulfonate | SK&F 108566-J | Eprosartan (mesylate) | UNII-8N2L1NX8S3 | SK&F-108566-J | 8N2L1NX8S3 | DTXSID7044217 | CHEBI:48409 | (E)-2-Butyl-1-(p-carboxybenzyl)-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

ANTAGONIST

작동 메커니즘

Type-1 angiotensin II receptor antagonist

이름과 식별자

• Pubchem Sid: 528769989
• 정식 스마일: 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+
• 이성체 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 독일: 3
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 248 °C
• 분자량: 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