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Trilexium

CAT: 0013-GTR19235357-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235357-02Size:50 mg
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Description
Trilexium (TRX-E-009-1) is a third-generation benzopyran small molecule with broad-spectrum anti-cancer properties. It functions by depolymerizing microtubules, upregulating p21 expression, and inducing apoptosis. This activity has been demonstrated in both in vitro cell-based assays and in vivo xenograft models for oncology research.
CAS Number
1983180-82-0
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry, Signal Transduction
Molecular Formula
C24H23FO6
Molecular Weight
426.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trilexium
CAS Number1983180-82-0
PubChem CID170611176
IUPAC Name(3R,4S)-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC24H23FO6
Molecular Weight426.4
XLogP4.5
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC(=C(C=C3)O)F)C4=CC(=C(C(=C4)OC)O)OC)O
InChI
InChI=1S/C24H23FO6/c1-12-18(26)7-5-15-22(13-4-6-19(27)17(25)8-13)16(11-31-24(12)15)14-9-20(29-2)23(28)21(10-14)30-3/h4-10,16,22,26-28H,11H2,1-3H3/t16-,22-/m0/s1
InChIKey
RDQGRFVVYZSNMO-AOMKIAJQSA-N
Chemical Structure
2D Structure
2D structure of Trilexium
CAS: 1983180-82-0
CID: 170611176
Formula: C24H23FO6
MW: 426.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass426.14786661
Monoisotopic Mass426.14786661
Topological Polar Surface Area88.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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