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GTCpFE

CAT: 0013-GTR19239223-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239223-01Size:25 mg
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Description
GTCpFE is a novel anti-inflammatory and anti-cancer stem cell agent derived from Dimethyl fumarate and Aspirin. It functions by inhibiting IKKα/β in the NF-κB pathway, blocking p65 nuclear translocation, and suppressing breast cancer stem cell markers like CD44+CD24- in mammosphere assays. This makes it a valuable research tool for studying NF-κB-driven inflammation and aggressive cancer phenotypes in vitro.
CAS Number
1588866-45-8
Field of Research
Signal Transduction
Smiles
C (OC1=CC=C (COC (/C=C/C (OCC) =O) =O) C=C1) (=O) C2=C (OC (C) =O) C=CC=C2
Molecular Formula
C22H20O8
Molecular Weight
412.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GTCpFE
CAS Number1588866-45-8
PubChem CID73425593
IUPAC Name4-O-[[4-(2-acetyloxybenzoyl)oxyphenyl]methyl] 1-O-ethyl (E)-but-2-enedioate
Molecular FormulaC22H20O8
Molecular Weight412.4
XLogP3
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity633
SMILES
CCOC(=O)/C=C/C(=O)OCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C22H20O8/c1-3-27-20(24)12-13-21(25)28-14-16-8-10-17(11-9-16)30-22(26)18-6-4-5-7-19(18)29-15(2)23/h4-13H,3,14H2,1-2H3/b13-12+
InChIKey
ZBZZFYBZJGLZIB-OUKQBFOZSA-N
Chemical Structure
2D Structure
2D structure of GTCpFE
CAS: 1588866-45-8
CID: 73425593
Formula: C22H20O8
MW: 412.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass412.11581759
Monoisotopic Mass412.11581759
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T200141-01GTCpFE

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