D-α-Tocoferilquinona - Moligand™, ≥97% , CAS No.7559-04-8

CAS: 7559-04-8 Cat. No.: S161300 Peso molecular: 446.72 PubChem CID: 2734086

GRADE & PURITY Moligand™, ≥97%

Synonyms

Tocoferilquinona | Quinona de vitamina E (forma D) | Metareno | alfa-tocoferolquinona

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Aplicación del producto：
D-α-Tocoferol Quinona es un derivado de la vitamina E que presenta propiedades antioxidantes. D-α-Tocoferol Quinona ha demostrado restaurar parcialmente la actividad de la NADH deshidrogenasa y se ha utilizado para investigar el sistema de transporte de electrones en hepatocitos de rata y eritrocitos humanos.

Descripción del producto:
La tocoferilquinona, d-α es un producto de oxidación del alfa-tocoferol. Se ha observado que durante la hipoxia en ratas, los niveles de tocoferilquinona aumentan. Se ha observado que reduce la actividad respiratoria de las mitocondrias. También ha mostrado actividades antioxidantes tras reducirse a tocoferilhidroquinona.

Specifications

Sinónimos

Tocoferilquinona | Quinona de vitamina E (forma D) | Metareno | alfa-tocoferolquinona

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C
• IUPAC Name: 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
• InChIKey: LTVDFSLWFKLJDQ-IEOSBIPESA-N
• INCHI: 1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
• Isómeros SMILES: CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C
• RTECS: DK5170000
• PubChem CID: 2734086
• Peso molecular: 446.72
• Reaxy-Rn: 1916833

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Prenylquinones P-benzoquinones Tertiary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Diterpenoid - Prenylbenzoquinone - Quinone - P-benzoquinone - Tertiary alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• External Descriptors: organic molecular entity

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)

PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 Activities)

Discover Target: PTPN2

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

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PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

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PTPRF Tchem Receptor-type tyrosine-protein phosphatase F (LAR) (718 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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Objetivos asociados (no humanos)

Cdc25b Dual specificity phosphatase Cdc25B (32 Activities)

Discover Target: Cdc25b

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Salmonella typhimurium (15756 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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CHO (4503 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilidad: Heat Sensitive&light sensitive
• Índice de refracción: 1.5
• Peso molecular: 446.700 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 446.376 Da
• Monoisotopic Mass: 446.376 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 697.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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