delta-Tocotrienol - ≥98% , CAS No.25612-59-3

CAS: 25612-59-3 Cat. No.: D276138 Peso molecular: 396.61

GRADE & PURITY ≥98%

Synonyms

NCGC00253541-03 | Delta-tocotrienols | UNII-1SRB74OWSI | SR-01000946270-1 | (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol | (R)-delta-Tocotrienol | .delta.-Tocotrienol | 1SRB74OWSI | 2R,8-dimethyl-2-[(

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

NCGC00253541-03 | Delta-tocotrienols | UNII-1SRB74OWSI | SR-01000946270-1 | (2R)-2, 8-dimethyl-2-[(3E, 7E)-4, 8, 12-trimethyltrideca-3, 7, 11-trien-1-yl]-3, 4-dihydro-2H-chromen-6-ol | (R)-delta-Tocotrienol | .delta.-Tocotrienol | 1SRB74OWSI | 2R, 8-dimethyl-2-[(

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Form of vitamin E. Lipophilic antioxidant agent. Tocotrienol α , β , and γ analog. Induces apoptosis in cancer cells. Enhances bone formation, shows antitumor, neuroprotective and antioxidant effects in vivo.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763419
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763419
• Sonrisas canónicas: CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
• IUPAC Name: (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
• InChIKey: ODADKLYLWWCHNB-LDYBVBFYSA-N
• INCHI: 1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1
• Isómeros SMILES: CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
• Peso molecular: 396.61
• Reaxy-Rn: 11516014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11516014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Vitamin E compounds
          • Level6 Tocotrienols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Vitamin E compounds
• Direct Parent: Tocotrienols
• Alternative Parents: Diterpenoids 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tocotrienol - Diterpenoid - 1-benzopyran - Benzopyran - Chromane - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocopherols that contain a saturated trimethyltridecyl chain.
• External Descriptors: Vitamin E

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)

MGAM Tclin Maltase-glucoamylase (654 Activities)

Discover Target: MGAM

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NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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NR1H2 Tchem LXR-beta (3841 Activities)

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MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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MDA-MB-231 (73002 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Plasmodium falciparum (966862 Activities)

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Gallus gallus (1187 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 10 mM
• Sensibilidad: Light sensitive
• Peso molecular: 396.600 g/mol
• XLogP3: 8.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 396.303 Da
• Monoisotopic Mass: 396.303 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

1. Shuo Zou, Hongzeng Ai, Pengkai Xie, Yee-Ying Lee, Ying Huang, Hong Shyang Pei, Mingchen Xu, Yong Wang, Zhen Zhang.  (2025)  Design and mechanistic insights of diacylglycerol-based microemulsions for enhanced transdermal delivery: experimental optimization and molecular dynamics simulation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41205530] [10.1016/j.jcis.2025.139399]