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δ-Tocotrienol

CAT: 0931-TMA2474-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TMA2474-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25612-59-3
Target
Others, p53, PDK, DNA/RNA Synthesis, PI3K, Bcl-2 Family, Akt, VEGFR, Caspase, NF-κB, Apoptosis, ERK
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, PI3K/Akt/mTOR signaling, Cytoskeletal Signaling, MAPK, Apoptosis, DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Proteases/Proteasome, Others, NF-κB
Purity
0.9986
Bioactivity
δ-Tocotrienol (Delta-Tocotrienol) is a potential angiogenic inhibitor. δ-Tocotrienol is also a nontoxic activator of mir-34a which can inhibit nonsmall cell lung cancer cells (NSC-LC) cell proliferation, induce apoptosis and inhibit invasion, and thus offering a potential starting point for the design of novel anticancer agents.
Smiles
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1
Molecular Formula
C27H40O2
Molecular Weight
396.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Delta-Tocotrienol

Delta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2. It has a role as an antineoplastic agent, a bone density conservation agent, a radiation protective agent, an anti-inflammatory agent, an apoptosis inducer, a NF-kappaB inhibitor, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a vitamin E and a tocotrienol.

CAS Number25612-59-3
PubChem CID5282350
IUPAC Name(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC27H40O2
Molecular Weight396.6
XLogP8.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity596
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
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
InChIKey
ODADKLYLWWCHNB-LDYBVBFYSA-N
Chemical Structure
2D Structure
2D structure of Delta-Tocotrienol
CAS: 25612-59-3
CID: 5282350
Formula: C27H40O2
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass396.302830514
Monoisotopic Mass396.302830514
Topological Polar Surface Area29.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity596
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
HY-108693-01β-Tocotrienol
HY-108694-01γ-Tocotrienol
sc-221191Cα-Tocotrienol
sc-205547δ-Tocotrienol
JH917672Tocotrienol
BUP07199-01?-Tocotrienol

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