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DK-139

CAT: 0013-GTR19209153-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209153-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DK-139 is a small molecule inhibitor that suppresses NF-κB-mediated GROα expression. It is used in research to study TNFα-induced invasion and metastasis, particularly in triple-negative breast cancer cell lines like MDA-MB-231, in vitro.
CAS Number
1426059-23-5
Smiles
C (=C/C (=O) C1=CC (OC) =CC=C1O) \C2=CC (OC) =CC (OC) =C2
Molecular Formula
C18H18O5
Molecular Weight
314.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one
CAS Number1426059-23-5
PubChem CID71523683
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H18O5
Molecular Weight314.3
XLogP3.8
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
COC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C18H18O5/c1-21-13-5-7-18(20)16(11-13)17(19)6-4-12-8-14(22-2)10-15(9-12)23-3/h4-11,20H,1-3H3/b6-4+
InChIKey
GUNJFYJQOLVLTF-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one
CAS: 1426059-23-5
CID: 71523683
Formula: C18H18O5
MW: 314.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass314.11542367
Monoisotopic Mass314.11542367
Topological Polar Surface Area65 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
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

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