| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
IKK-16 HCl targets IκB kinases (IKKs), specifically IKK-1 (IKKα), IKK-2 (IKKβ), and the IKK complex. By inhibiting IKK, it prevents the phosphorylation and degradation of IκBα, the inhibitor of NF-κB. This blocks the activation of the NF-κB pathway, which is involved in inflammation and immune responses. IKK-16 also inhibits leucine-rich repeat kinase-2 (LRRK2) with an IC50 of 50 nM.
|
|---|---|
| ln Vitro |
IKK-16 inhibits TNFα-stimulated expression of the adhesion molecules
E-selectin, ICAM-1, and VCAM-1 in HUVEC cells. Although IKK-16 shows
activity in the IFNγ-induced expression of β2 microglobulin or HLA-DR,
its potency in these assays is 4- to 10-fold weaker.
Kinase Assay: IKK 16 is a selective IκB kinase (IKK) inhibitor for IKK2, IKK complex and IKK1 with IC50s of 40 nM, 70 nM and 200 nM, respectively. IKK16 also inhibits leucine-rich repeat kinase-2 (LRRK2) with an IC50 of 50 nM. Cell Assay: IKK-16 (IKK Inhibitor VII) inhibited IKK2 by the blockade of IκBα degradation and suppressed TNFα-stimulated expression of the adhesion molecules E-selectin, ICAM-1, and VCAM-1 in HUVEC cells. Moreover, IKK-16 also showed activity in the IFNγ-induced expression of the MHC molecules β2 microglobulin and HLA-DR, but its potency in these assays is 4- to 10-fold weaker than the adhesion molecules assay. In vitro, IKK-16 inhibits TNFα-stimulated expression of the adhesion molecules E-selectin, ICAM-1, and VCAM-1 in HUVEC cells. Although IKK-16 shows activity in the IFNγ-induced expression of β2 microglobulin or HLA-DR, its potency in these assays is 4- to 10-fold weaker. IKK-16 inhibits IKK2 by blocking IκBα degradation. It also shows activity in the IFNγ-induced expression of MHC molecules. |
| ln Vivo |
IKK-16
is orally bio-available in rats and mice, and it inhibits LPS-induced
TNF-α release in vivo and neutrophil extravasion in
thioglycollate-induced peritonitis |
| Enzyme Assay |
The in vitro enzymatic activity of IKK-16 is assessed using cell-free kinase assays with recombinant IKK-1, IKK-2, or the IKK complex. The kinase is incubated with a substrate (e.g., IκBα) and ATP in the presence of varying concentrations of the inhibitor. The extent of phosphorylation is measured using techniques such as radioactive labeling or immunoassay. The IC50 values of 40 nM (IKK-2), 70 nM (IKK complex), and 200 nM (IKK-1) are determined from dose-response curves.
|
| Cell Assay |
To evaluate the cellular effects of IKK-16, HUVEC cells are treated with the compound. The inhibition of TNFα-stimulated expression of adhesion molecules (E-selectin, ICAM-1, VCAM-1) is measured by flow cytometry or ELISA. The blockade of IκBα degradation is confirmed by Western blotting. The effects on cell viability and inflammation are assessed using standard assays.
|
| Animal Protocol |
30 mg/kg; s.c. injection or oral administration | Rat model; thioglycollate-induced peritonitis model in the mouse
| ADME/Pharmacokinetics |
IKK-16 HCl has a molecular formula of C28H30ClN5OS and a molecular weight of 520.09 g/mol. Its CAS number is 1186195-62-9. It appears as a light yellow to yellow solid powder. The purity is ≥98%. It should be stored at 2-8°C.
|
| Toxicity/Toxicokinetics |
Specific toxicology data for IKK-16 HCl are not extensively detailed in the available literature. As with all research compounds, standard safety precautions should be taken when handling IKK-16 HCl. It is intended for research use only and is not for human consumption.
|
| References | |
| Additional Infomation |
IKK-16 HCl is a potent and selective IκB kinase (IKK) inhibitor used as a research tool to study the NF-κB pathway. It inhibits IKK-2, IKK complex, and IKK-1 with IC50 values of 40 nM, 70 nM, and 200 nM, respectively. It is orally bioavailable and has in vivo activity in models of inflammation. It is not a clinically approved drug.
|
| Molecular Formula |
C28H30CLN5OS
|
|---|---|
| Molecular Weight |
520.088703632355
|
| Exact Mass |
519.185
|
| CAS # |
1186195-62-9
|
| Related CAS # |
IKK 16;873225-46-8
|
| PubChem CID |
56972179
|
| Appearance |
Light yellow to yellow solid powder
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
36
|
| Complexity |
702
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5.Cl
|
| InChi Key |
XFVDIVQCZWDBCW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C28H29N5OS.ClH/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26;/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31);1H
|
| Chemical Name |
[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~192.27 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9227 mL | 9.6137 mL | 19.2274 mL | |
| 5 mM | 0.3845 mL | 1.9227 mL | 3.8455 mL | |
| 10 mM | 0.1923 mL | 0.9614 mL | 1.9227 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA