Stepronin - Moligand™, ≥98% , CAS No.72324-18-6

CAS: 72324-18-6 Cat. No.: S694038 Formule: C₁₀H₁₁NO₄S₂ Poids moléculaire: 273.33 Numéro CE: 276-587-4

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

Tiase|2-(2-((Thiophene-2-carbonyl)thio)propanamido)acetic acid|TTPG|Prostenoglycine

Storage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Stepronin (Prostenoglycine) est un expectorant actif. La stepronine inhibe la sécrétion des voies respiratoires in vitro en réduisant la sécrétion de Cl- par les cellules épithéliales et la sécrétion de glycoprotéines du mucus par les glandes sous-muqueuses

Spécifications

Synonymes

Tiase | 2-(2-((Thiophene-2-carbonyl)thio)propanamido)acetic acid | TTPG | Prostenoglycine

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528767305

Sourires canoniques

CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CS1

IUPAC Name

2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetic acid

InChIKey

JNYSEDHQJCOWQU-UHFFFAOYSA-N

INCHI

1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)

Isomères SMILES

CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CS1

CAS alternatif

72324-18-6,78126-10-0 (mono-hydrochloride salt)

Termes d'entrée MeSH

2-(alpha-thenoylthio)propionylglycine;2-(alpha-theonyl)thiopropionylglycine;Broncoplus;N-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-glycine;prostenoglycine;stepronin;stepronin lysine;stepronin lysine salt;stepronin monosodium salt;stepronin sodium;Tiase;TS

Poids moléculaire

273.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Thiophene carboxylic acids and derivatives Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Thiophene carboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 273.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 273.013 Da
• Monoisotopic Mass: 273.013 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 321.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1