Imidaprilat - Moligand™, ≥95% , Inhibitor of Angiotensin-converting enzyme, CAS No.89371-44-8, Inhibitor of Angiotensin-converting enzyme

CAS: 89371-44-8 Cat. No.: I353376 Peso molecular: 377.39

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid | 4-Imidazolidinecarboxylic acid, 3-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1-methyl-2-oxo-, (4S)- | Imidapril Diacid | (4S)-3-((2S)-2-[N-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Imiddaprilat is an antihypertensive compound that inhibits the catalytic activity of angiotensin-converting enzyme (ACE). This prevents the conversion of angiotensin I to angiotensin II, a potent vasoconstrictor.

Specifications

Sinónimos

3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid | 4-Imidazolidinecarboxylic acid, 3-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1-methyl-2-oxo-, (4S)- | Imidapril Diacid | (4S)-3-((2S)-2-[N-(

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Angiotensin-converting enzyme

Pureza

≥95%

Propiedades del producto

• pKa: pKa: 2.17 (Predicted), pKa: 7.12 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)N1C(CN(C1=O)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
• IUPAC Name: (4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
• InChIKey: VFAVNRVDTAPBNR-UBHSHLNASA-N
• INCHI: 1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
• Isómeros SMILES: C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O
• Peso molecular: 377.39
• Reaxy-Rn: 38273011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38273011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid amides L-alpha-amino acids Aralkylamines N-acyl ureas Benzene and substituted derivatives Dicarboxylic acids and derivatives Imidazolidinones Dicarboximides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - N-acyl urea - Aralkylamine - Ureide - Imidazolidinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Dicarboximide - Imidazolidine - Urea - Amino acid - Amino acid or derivatives - Carbonic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

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

Objetivos asociados (humanos)

ACE Tclin Angiotensin-converting enzyme (2 Activities)

Discover Target: ACE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, methanol, and DMSO.
• Índice de refracción: n20D1.59 (Predicted)
• Punto de ebullición (°C): ~592.1° C at 760 mmHg (Predicted)
• Punto de fusión (°C): >224° C
• Peso molecular: 377.400 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 377.159 Da
• Monoisotopic Mass: 377.159 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 590.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1