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 Formule: C₁₈H₂₃N₃O₆ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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-(

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of Angiotensin-converting enzyme

Pureté

≥95%

Propriétés du produit

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

Noms et identifiants

• Sourires canoniques: 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
• Isomères 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
• Poids moléculaire: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, methanol, and DMSO.
• Indice de réfraction: n20D1.59 (Predicted)
• Point d'ébullition (°C): ~592.1° C at 760 mmHg (Predicted)
• Point de fusion (°C): >224° C
• Poids moléculaire: 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