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β-Tocotrienol

CAT: 0804-HY-108693-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108693-01Size:5 mg
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Description
β-Tocotrienol is an isomer of vitamin E. β-Tocotrienol is a less potent antioxidant than α-tocotrienol. β-Tocotrienol can be found in the tocotrienol-rich fraction (TRF) of palm oil, which possesses anti-carcinogenic effects in vitro on human colon carcinoma and prostate cancer cells. β-Tocotrienol inhibits the growth of A549 (GI50 = 1.38 μM) and U87MG (GI50 = 2.53 μM) cells. β-Tocotrienol also induces apoptosis in cancer cells. β-Tocotrienol can inhibit PD-L1 expression and mitigates PD-L1-mediated immune suppression in vitro and in vivo[1][2][3].
CAS Number
490-23-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Leukotriene Receptor
Type
Reference compound
Related Pathways
Apoptosis; GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/β-tocotrienol.html
Purity
99.14
Solubility
DMSO : ≥ 50 mg/mL
Smiles
OC1=CC(C)=C2C(CC[C@](CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C)(C)O2)=C1C
Molecular Formula
C28H42O2
Molecular Weight
410.63
Precautions
H302, H315, H319, H335
References & Citations
[1]A Kamal-Eldin, et al. The Chemistry and Antioxidant Properties of Tocopherols and Tocotrienols. Lipids. 1996 Jul;31 (7) :671-701.|[2]Lim, S. W., et al., (2014) . Antiproliferation and induction of caspase-8-dependent mitochondria-mediated apoptosis by β-tocotrienol in human lung and brain cancer cell lines. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, 68 (8), 1105–1115. |[3]Sun, Z., et al., (2022) . Inhibition of PD-L1-mediated tumor-promoting signaling is involved in the anti-cancer activity of β-tocotrienol. Biochemical and biophysical research communications, 617 (Pt 2), 33–40.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

beta-Tocotrienol

Beta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a vitamin E and a tocotrienol.

CAS Number490-23-3
PubChem CID5282348
IUPAC Name(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC28H42O2
Molecular Weight410.6
XLogP8.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity625
SMILES
CC1=CC(=C(C2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O
InChI
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
InChIKey
FGYKUFVNYVMTAM-WAZJVIJMSA-N
Chemical Structure
2D Structure
2D structure of beta-Tocotrienol
CAS: 490-23-3
CID: 5282348
Formula: C28H42O2
MW: 410.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.6
XLogP38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass410.318480578
Monoisotopic Mass410.318480578
Topological Polar Surface Area29.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-221191Cα-Tocotrienol
sc-205547δ-Tocotrienol
GTR19173195-01γ-Tocotrienol
C5523-25β-Tocotrienol
JH917672Tocotrienol
BUP07199-01?-Tocotrienol

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