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NF-κB-IN-1 - 99%, high purity , CAS No.1227098-15-8

    Grade & Purity:
  • ≥99%
In stock
Item Number
N650195
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N650195-1mg
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IKK (58) NF-κB (747)

Basic Description

Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms 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 activi
Storage Temp Store at -20°C
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Product Description

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class 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
Description 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

Associated Targets(Human)

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H157 (619 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H460 (60772 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]hepta-1,6-diene-3,5-dione
INCHI 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+
InChIKey AYIYVEPNEPUJCF-GNXRPPCSSA-N
Smiles 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
Isomeric 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
Molecular Weight 530.6

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 50 mg/mL (94.24 mM; Need ultrasonic)
Molecular Weight 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

Solution Calculators

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