Delapril Hydrochloride - ≥97% , CAS No.83435-67-0

CAS: 83435-67-0 Cat. No.: D154264 Peso molecular: 489.01 Número EC: 801-621-7 PubChem CID: 5362115

GRADE & PURITY ≥97%

Synonyms

Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, monohydrochloride, (S)- | XWK0W8DA04 | UNII-2SMM3M5ZMH | AS-15996 | Delapril (hydrochloride) | REV 6000A | Delapril HCl | Delapril hydrochloride (JAN/USAN) | HY-10

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

Delapril hydrochloride is an angiotensin-converting enzyme (ACE) inhibitor for the treatment of cardiovascular diseases. 

Specifications

Sinónimos

Glycine, N-(2, 3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, monohydrochloride, (S)- | XWK0W8DA04 | UNII-2SMM3M5ZMH | AS-15996 | Delapril (hydrochloride) | REV 6000A | Delapril HCl | Delapril hydrochloride (JAN/USAN) | HY-10

Especificaciones y pureza

≥97%

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.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763707
• Sonrisas canónicas: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
• IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride
• InChIKey: FDJCVHVKXFIEPJ-JCNFZFLDSA-N
• INCHI: 1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
• Isómeros SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
• RTECS: MB9668000
• PubChem CID: 5362115
• Peso molecular: 489.01
• Reaxy-Rn: 5720909

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Peptidomimetics
      • Subclass Peptoid-peptide hybrids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Peptoid-peptide hybrids
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptoid-peptide hybrids
• Alternative Parents: Dipeptides Alpha amino acid esters N-acyl-alpha amino acids Alpha amino acid amides Alanine and derivatives Indanes Aralkylamines Fatty acid esters Benzene and substituted derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Amino acids Dialkylamines Carboxylic acids Carbonyl compounds Hydrochlorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Peptoid/peptide hybrid - Alpha-dipeptide - Alpha-amino acid ester - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Indane - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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 Methanol
• Sensibilidad: Moisture sensitive
• Rotación específica [α]: 18° (C=1,MeOH)
• Punto de fusión (°C): 173 °C
• Peso molecular: 489.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 488.208 Da
• Monoisotopic Mass: 488.208 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 649.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3