≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
NF-κB-IN-1, a 4-arylidene crucumin analogue, is a potent NF-κB signaling pathway inhibitor. NF-κB-IN-1 directly inhibits IKK to block NF-κB activation. NF-κB-IN-1 effectively inhibits the viability of lung cancer cells and attenuates the clonogenic activity of A549 cells
In Vitro
NF-κB-IN-1 (compound 17) (0.001-100 μM; 72 h) inhibits the growth of A549, H1944, H460 and H157 cells, with GI 50 s of 0.72, 0.07, 0.13, and 0.16 μM, respectively. NF-κB-IN-1 (0.5-25 μM; pretreated for 30 min or 4 h) potently blocks the IκB phosphorylation and degradation in A549 cells. NF-κB-IN-1 (0.1-100 μM; pretreated for 30 min) dose-dependently inhibits the TNFα-induced nuclear translocation of NF-κB in A549 cells, with an IC 50 s of 1.0 μM. NF-κB-IN-1 (0.1-0.4 μM; 9 d) inhibits lung cancer clonogenic activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: A549, H1944, H460 and H157 cells Concentration: 0.001, 0.01, 0.1, 1, 10, 100 μM Incubation Time: 72 hours Result: Decreased viability of lung adenocarcinoma cells A549 and H1944, quamous cell carcinoma cells H157, and large cell carcinoma cells H460 in a dose-dependent manner. Western Blot AnalysisCell Line: A549 cells Concentration: 0.5, 1.0, 2.5, 5.0, 10.0, 25.0 μM Incubation Time: Pretreated for 30 min or 4 h Result: Blocked IκB phosphorylation, with an IC 50 of 2.8 μM. Blocked IκB degradation in a dose-dependent manner.
Form:Solid
IC50& Target:IKK
| Sonrisas canónicas | COC1=C(C=C(C=C1)C=CC(=O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)C=CC3=CC(=C(C=C3)OC)OC)OC |
|---|---|
| IUPAC Name | (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]hepta-1,6-diene-3,5-dione |
| InChIKey | AYIYVEPNEPUJCF-GNXRPPCSSA-N |
| INCHI | 1S/C31H30O8/c1-35-27-14-9-20(17-30(27)38-4)6-11-24(32)23(16-22-8-13-26(34)29(19-22)37-3)25(33)12-7-21-10-15-28(36-2)31(18-21)39-5/h6-19,34H,1-5H3/b11-6+,12-7+ |
| Isómeros SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC |
| PubChem CID | 49851904 |
| Peso molecular | 530.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Diarylheptanoids |
| Subclass | Linear diarylheptanoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Curcuminoids |
| Alternative Parents | Hydroxycinnamic acids and derivatives Methoxyphenols Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Curcumin - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Styrene - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 50 mg/mL (94.24 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 530.600 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 530.194 Da |
| Monoisotopic Mass | 530.194 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 826.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
