(+)-Kavain - ≥98% , CAS No.500-64-1

CAS: 500-64-1 Cat. No.: K340139 Formula: C₁₄H₁₄O₃ Peso molecolare: 230.3 Beilstein Registry Number: 177877

GRADE & PURITY ≥98%

Synonyms

(R)-(+)-Kavain | Kavaform (TN) | (6R)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one | (+)-Kavain | DTXCID3013595 | kavaine | CHEBI:92164 | Tox21_200907 | DTXSID5033595 | HMS2095J15 | AC-35093 | KAWAIN [MI] | 2H-Pyran-2-one,6-dihydro-4-methoxy

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Il Kavain (+/-), un kavapirone lipofilo, è stato originariamente estratto dal|Piper methysticum|. È stato dimostrato che questo composto antagonizza in modo significativo la deplezione di dopamina nei neuroni striatali murini. Ulteriori studi riportano che il Kavain (+/-) ostacola la contrazione della muscolatura liscia vascolare attraverso l'inibizione dei canali del Ca|+, provocando un rilassamento nell'ileo murino precontratto, nelle vie aeree e negli anelli aortici. Inoltre, ad alte concentrazioni, questo agente ha mostrato caratteristiche neurotossiche.

Specifications

Sinonimi

(R)-(+)-Kavain | Kavaform (TN) | (6R)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one | (+)-Kavain | DTXCID3013595 | kavaine | CHEBI:92164 | Tox21_200907 | DTXSID5033595 | HMS2095J15 | AC-35093 | KAWAIN [MI] | 2H-Pyran-2-one,6-dihydro-4-methoxy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763359
• Sorrisi canonici: COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2
• IUPAC Name: (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
• InChIKey: XEAQIWGXBXCYFX-GUOLPTJISA-N
• INCHI: 1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
• Isomeri SMILES: COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2
• WGK Germania: 3
• RTECS: UQ0518000
• Peso molecolare: 230.3
• Beilstein: 177877
• Reaxy-Rn: 84886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=84886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Kavalactones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Kavalactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Kavalactones
• Alternative Parents: Styrenes Dihydropyranones Vinylogous esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Kavalactone - Styrene - Dihydropyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as kavalactones. These are lactones, which is structurally characterized by a benzene ring and a pyranone moiety, linked to each other to form a 4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one skeleton.
• External Descriptors: Polyketides - alpha-Pyrones

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (>25 mg/mL), DMF (>25 mg/mL), and ethanol (5 mg/mL warm).
• Indice di rifrazione: n20D1.57
• Punto di ebollizione (°C): 432.64° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 105.5° C
• Peso molecolare: 230.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094 Da
• Monoisotopic Mass: 230.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.