| Size | Price | Stock | Qty |
|---|---|---|---|
| 2mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| 500mg |
|
||
| Other Sizes |
|
Purity: ≥98%
BAY 11-7085 (BAY-11-7085; BAY 117085) is a novel, potent, soluble, irreversible inhibitor of TNFα-induced IκBα phosphorylation with potential anticancer activity. With an IC50 of 10 μM, it prevents TNFα-induced IκBα phosphorylation. By inhibiting antiapoptotic proteins, BAY117085 causes ovarian endometriotic cyst stromal cells/ECSCs to undergo apoptosis. Consequently, BAY 11-7085 may be employed in the management of endometriosis.
| Targets |
NF-κB; IκB-α (IC50 = 10 μM)
|
|---|---|
| ln Vitro |
BAY 11-7085 inhibits TNFa-induced surface expression of E-selectin, VCAM-1, and ICAM-1with IC50 values in the range of 5-10 μM. With an IC50 value of roughly 10 μM, BAY 11-7085 dose-dependently stabilizes IκBα . There is a direct correlation between the drug concentration that stabilized IκBα, the concentration that inhibits nuclear NF-kB levels, and the concentration that inhibits adhesion molecule expression[1].
It has been demonstrated that BAY 11-7085 causes a variety of cells to undergo apoptosis and inhibits cell proliferation. Cell proliferation and DNA synthesis in ovarian endometriotic cyst stromal cells are significantly reduced by BAY 11-7085 (ECSCs), which also causes apoptosis and the arrest of these cells' cell cycle in the G0/G1 phase. By suppressing antiapoptotic proteins, BAY 11-7085 causes ECSCs to undergo apoptosis, and caspase-3, -8, and -9-mediated cascades are involved in this mechanism[2]. |
| ln Vivo |
In the rat carrageenan paw model and the rat adjuvant arthritis model, BAY 11-7085 acts as an anti-inflammatory drug. The rat carrageenan paw model exhibits a dose-dependent decrease in swelling[1].
|
| Enzyme Assay |
The procedures for the gel kinase assay are described below for determining which proteins phosphorylate IκB-α . From HUVEC that have been exposed to TNFα (100 units/ml) for 15 minutes in the presence or absence of the inhibitor (20 μM, pretreatment for 1 hour), as indicated, whole cell extracts are made. A 10% SDS gel with 0.5 mg/ml HIS-IκB-α is used to separate proteins. Gels are washed two times in 20% propanol, 50 mM Hepes, pH 7.6, for 30 min and two times in buffer A (50 mM Hepes, pH 7.6, 5 mM 2-mercaptoethanol) for 30 min, followed by a 1-h incubation with buffer A containing 6 M urea, 1 h each in 3, 1.5, and 0.75 M urea in buffer A and 0.05% Tween 20 and 1 h in buffer A with 0.05% Tween 20. The kinase assay is conducted for 1 hour at 30 °C with 50 μM ATP, 5 Ci/ml [32P]ATP, 20 mM Hepes, pH 7.6, 20 mM MgCl2, 20 mM -glycerophosphate, 20 mM p-nitrophenyl phosphate, 1 mM sodium vanadate, and 2 mM dithiothreitol present. The gel is dried, exposed to film, and then washed with 5% trichloroacetic acid and 1% sodium pyrophosphate. A different gel devoid of HIS-IκB-α is tested as a control.
|
| Cell Assay |
ECSCs cells are incubated with BAY 11-7085 (0.01 to 10 μM) for 48 hours. Then, each well receives 20 μL of WST-1 dye, and the cells are incubated for an additional 4 hours. Every experiment is carried out with 10% FBS present. Absorbance at 540 nm is used to assess cell proliferation[2].
|
| Animal Protocol |
Rats: Rats receive 0.1 mL of 1% suspension of carrageenan in distilled water as a subplantar injection into the footpad of the right hind paw. Rats receive either a fine suspension of compound 2 (1, 5 or 50 mg/kg) in vehicle or vehicle (polyethylglycol 400 diluted 1:5 in 5% bovine serum albumin/water) intraperitoneally for one hour prior to injection. Rats pretreated with 20 mg/kg of ibuprofen are part of a positive control group that is also present. The injection volume of the paw is measured four hours after carrageenan administration. Edema volume is calculated[1].
|
| References |
|
| Additional Infomation |
BAY11-7085 is a sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB. It has a role as an anti-inflammatory agent, a ferroptosis inducer, a NF-kappaB inhibitor, an apoptosis inducer, an autophagy inducer, an antibacterial agent, an EC 2.7.11.10 (IkappaB kinase) inhibitor and an antineoplastic agent. It is a nitrile, a sulfone and a member of benzenes.
|
| Molecular Formula |
C13H15NO2S
|
|
|---|---|---|
| Molecular Weight |
249.33
|
|
| Exact Mass |
249.082
|
|
| Elemental Analysis |
C, 62.63; H, 6.06; N, 5.62; O, 12.83; S, 12.86
|
|
| CAS # |
196309-76-9
|
|
| Related CAS # |
|
|
| PubChem CID |
5353432
|
|
| Appearance |
White to off white solid powder
|
|
| Density |
1.1±0.1 g/cm3
|
|
| Boiling Point |
407.1±45.0 °C at 760 mmHg
|
|
| Melting Point |
80-82℃
|
|
| Flash Point |
200.0±28.7 °C
|
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
|
| Index of Refraction |
1.535
|
|
| LogP |
2.51
|
|
| Hydrogen Bond Donor Count |
0
|
|
| Hydrogen Bond Acceptor Count |
3
|
|
| Rotatable Bond Count |
3
|
|
| Heavy Atom Count |
17
|
|
| Complexity |
420
|
|
| Defined Atom Stereocenter Count |
0
|
|
| SMILES |
S(/C=C/C#N)(C1C=CC(=CC=1)C(C)(C)C)(=O)=O
|
|
| InChi Key |
VHKZGNPOHPFPER-ONNFQVAWSA-N
|
|
| InChi Code |
InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+
|
|
| Chemical Name |
(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
|
|
| Synonyms |
|
|
| 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 |
|
| 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) |
|
|||
|---|---|---|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.34 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 20.8 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: ≥ 2.08 mg/mL (8.34 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 20.8 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: ≥ 2.08 mg/mL (8.34 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 | 4.0107 mL | 20.0537 mL | 40.1075 mL | |
| 5 mM | 0.8021 mL | 4.0107 mL | 8.0215 mL | |
| 10 mM | 0.4011 mL | 2.0054 mL | 4.0107 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
