daglutril - Moligand™ , Inhibitor of Endothelin-converting enzyme 1;Inhibitor of Neutral endopeptidase, CAS No.182821-27-8, Inhibitor of Endothelin-converting enzyme 1;Inhibitor of Neutral endopeptidase

CAS: 182821-27-8 Cat. No.: D609716 PubChem CID: 3038505

GRADE & PURITY Moligand™

Synonyms

Daglutril | SLV 306 | GTPL6506 | UNII-KKV299446X | 1H-1-Benzazepine-1-acetic acid, 3-(((1-(2-(ethoxycarbonyl)-4-phenylbutyl)cyclopentyl)carbonyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,S*))- | KKV299446X | 2-((S)-3-(1-((R)-2-(Ethoxycarbonyl)-4-phenylbuty

Storage

Room temperature

Specifications

Sinonimi

Daglutril | SLV 306 | GTPL6506 | UNII-KKV299446X | 1H-1-Benzazepine-1-acetic acid, 3-(((1-(2-(ethoxycarbonyl)-4-phenylbutyl)cyclopentyl)carbonyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,S*))- | KKV299446X | 2-((S)-3-(1-((R)-2-(Ethoxycarbonyl)-4-phenylbuty

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of Endothelin-converting enzyme 1;Inhibitor of Neutral endopeptidase

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)C(CCC1=CC=CC=C1)CC2(CCCC2)C(=O)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O
• IUPAC Name: 2-[(3S)-3-[[1-[(2R)-2-ethoxycarbonyl-4-phenylbutyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
• InChIKey: XMQODGUTLZXUGZ-RPBOFIJWSA-N
• INCHI: 1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1
• Isomeri SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)CC2(CCCC2)C(=O)N[C@H]3CCC4=CC=CC=C4N(C3=O)CC(=O)O
• CAS alternativo: 182821-27-8
• PubChem CID: 3038505
• Termini MeSH: daglutril;SLV 306;SLV-306;SLV306

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-alpha amino acids and derivatives Benzazepines Azepines Fatty acid esters Benzene and substituted derivatives Fatty amides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Benzazepine - Alpha-amino acid or derivatives - Azepine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Fatty amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

ECE1 Tchem Endothelin-converting enzyme 1 (0 Activities)

Discover Target: ECE1

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

MME Tclin Neprilysin (0 Activities)

Discover Target: MME

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 534.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 534.273 Da
• Monoisotopic Mass: 534.273 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 863.000
• 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: 1

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 182821-27-8. InChIKey XMQODGUTLZXUGZ-RPBOFIJWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.