Asparagusic acid - ≥96% , CAS No.2224-02-4

CAS: 2224-02-4 Cat. No.: A648400 Formule: C₄H₆O₂S₂ Poids moléculaire: 150.2 PubChem CID: 16682

GRADE & PURITY ≥96%

Synonyms

PH-800/21 | AKOS006277672 | D82957 | HY-50730 | 1,2-DITHIACYCLOPENTANE-4-CARBOXYLIC ACID | Asparagusic acid | BRN 0112178 | PH 800/21 | C01892 | DTXSID00176779 | VAD3XV509R | 1,2-DITHIOLANE-4-CARBOXYLIC ACID | A901670 | 1,2-Dithiolan-4-carbonsA currencyur

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Asparagusic acid is a sulfur-containing flavor component produced by Asparagus officinalis Linn., with anti-parasitic effect. Asparagusic acid is a plant growth inhibitor

In Vitro

Asparagusic acid is toxic to several plant parasitic nematodes and would be a major factor in resistance of asparagus. Asparagusic acid inhibits growth in lettuce and other seedlings at 6.67×10 -7 M to 6.67×10 -7 M. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Human Endogenous Metabolite

Specifications

Synonymes

PH-800/21 | AKOS006277672 | D82957 | HY-50730 | 1,2-DITHIACYCLOPENTANE-4-CARBOXYLIC ACID | Asparagusic acid | BRN 0112178 | PH 800/21 | C01892 | DTXSID00176779 | VAD3XV509R | 1,2-DITHIOLANE-4-CARBOXYLIC ACID | A901670 | 1,2-Dithiolan-4-carbonsA currencyur

Spécifications et pureté

≥96%

Mécanismes biochimiques et physiologiques

Asparagusic acid is a sulfur-containing flavor component produced by Asparagus officinalis Linn., with anti-parasitic effect. Asparagusic acid is a plant growth inhibitor.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Type d'action

INHIBITOR

Pureté

≥96%

Noms et identifiants

Sourires canoniques

C1C(CSS1)C(=O)O

IUPAC Name

dithiolane-4-carboxylic acid

InChIKey

AYGMEFRECNWRJC-UHFFFAOYSA-N

INCHI

1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)

Isomères SMILES

C1C(CSS1)C(=O)O

PubChem CID

16682

Poids moléculaire

150.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dithiolanes
      • Subclass Dithiolanecarboxylic acids
        • Level5 1,2-dithiolanecarboxylic acids
          • Level6 1,2-dithiolane-4-carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dithiolanes
• Subclass: Dithiolanecarboxylic acids
• Intermediate Tree Nodes: 1,2-dithiolanecarboxylic acids
• Direct Parent: 1,2-dithiolane-4-carboxylic acids
• Alternative Parents: 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,2-dithiolane-4-carboxylic acid - 1,2-dithiolane - Organic disulfide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-dithiolane-4-carboxylic acids. These are organic compounds containing a 1,2-dithiolane ring that bears a carboxylic acid group at the 4-position.
• External Descriptors: dithiolanes - sulfur-containing carboxylic acid - dithiolanecarboxylic acid

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 46 mg/mL (306.22 mM)
• Poids moléculaire: 150.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 149.981 Da
• Monoisotopic Mass: 149.981 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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