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Bay 65-1942 free base

IKKβ kinase inhibitor,ATP-competitive CAS# 600734-02-9

Bay 65-1942 free base

Catalog No. BCC1408----Order now to get a substantial discount!

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Bay 65-1942 free base: 5mg $460 In Stock
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Chemical structure

Bay 65-1942 free base

3D structure

Chemical Properties of Bay 65-1942 free base

Cas No. 600734-02-9 SDF Download SDF
PubChem ID 135454904 Appearance Powder
Formula C22H25N3O4 M.Wt 395.45
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-piperidin-3-yl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILES C1CC(CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O
Standard InChIKey IGJVFGZEWDGDOO-CQSZACIVSA-N
Standard InChI InChI=1S/C22H25N3O4/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27)/t14-/m1/s1
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Bay 65-1942 free base Dilution Calculator

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Bay 65-1942 free base Molarity Calculator

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Preparing Stock Solutions of Bay 65-1942 free base

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 2.5288 mL 12.6438 mL 25.2876 mL 50.5753 mL 63.2191 mL
5 mM 0.5058 mL 2.5288 mL 5.0575 mL 10.1151 mL 12.6438 mL
10 mM 0.2529 mL 1.2644 mL 2.5288 mL 5.0575 mL 6.3219 mL
50 mM 0.0506 mL 0.2529 mL 0.5058 mL 1.0115 mL 1.2644 mL
100 mM 0.0253 mL 0.1264 mL 0.2529 mL 0.5058 mL 0.6322 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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Background on Bay 65-1942 free base

Bay 65-1942 free base is a selective inhibitor of IKKβ with IC50 value of 10 μM and Ki value of 2 nM [1] [2].
IKKβ (inhibitor of nuclear factor kappa-B kinase subunit beta) is a subunit of IκB kinase which regulates the NF-κB activation and plays an important role in triggering immune responses [3].
Bay 65-1942 is a potent IKKβ inhibitor. When tested with MYL-R cells, administration of Bay 65-1942 reduced cell viability and induced cell apoptosis by decreasing IKKβ expression[1]. In human alveolar type II epithelium-like lung adenocarcinoma cell line A549, treatment of Bay 65-1942 inhibited IKKβ –dependent signal transduction and NF-κB activation by inhibiting IKKβ [2].
In acute ischemia-reperfusion C57BL/6 mice model, administration of Bay 65-1942 significantly reduced left ventricular infarct size and preserved cardiac function and finally prevented cardiac injury following IR by inhibiting IKKβ[4].
References:
[1.]Cooper, M.J., et al., Application of multiplexed kinase inhibitor beads to study kinome adaptations in drug-resistant leukemia. PLoS One, 2013. 8(6): p. e66755.
[2].Ziegelbauer, K., et al., A selective novel low-molecular-weight inhibitor of IkappaB kinase-beta (IKK-beta) prevents pulmonary inflammation and shows broad anti-inflammatory activity. Br J Pharmacol, 2005. 145(2): p. 178-92.
[3].Harken, A.H., The world of inhibitory kappaB. Am J Physiol Heart Circ Physiol, 2007. 293(5): p. H2624-5.
[4].Moss, N.C., et al., IKKbeta inhibition attenuates myocardial injury and dysfunction following acute ischemia-reperfusion injury. Am J Physiol Heart Circ Physiol, 2007. 293(4): p. H2248-53.

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References on Bay 65-1942 free base

Marked differences in base selectivity between DNA and the free nucleotides upon adduct formation from Bay- and Fjord-region diol epoxides.[Pubmed:10995261]

Chem Res Toxicol. 2000 Sep;13(9):883-90.

Distributions of adducts formed from each of the four optically active isomers of 3,4-dihydroxy-1,2-epoxy-1,2,3, 4-tetrahydrobenzo[c]phenanthrene and of 7,8-dihydroxy-9,10-epoxy-7,8, 9,10- tetrahydrobenzo[a]pyrene (BcPh and BaP diol epoxides) on reaction with an equimolar mixture of deoxyadenosine and deoxyguanosine 5'-monophosphates were compared with the known adduct distributions from these diol epoxides (DEs) upon reaction with calf thymus DNA in vitro. In the presence of an equimolar (100 mM total) mixture of dAMP and dGMP, the efficiency of formation of all types of adducts relative to tetraols is comparable for both the BaP ( approximately 40-60%) and BcPh ( approximately 30-40%) diol epoxides. This is in contrast to the partitioning between tetraols and adducts observed with DNA, where the BcPh DEs form adducts much more efficiently than the BaP DEs. Preference for trans versus cis ring opening by the exocyclic amino groups of the free nucleotides in the dAMP/dGMP mixture is greater for the DE diastereomer in which the benzylic hydroxyl group and the epoxide oxygen are trans (DE-2). This is qualitatively similar to the preferences for trans versus cis adduct formation on reaction of these isomers with DNA, as well as trans versus cis tetraol formation on their acid hydrolysis. For the BcPh DE isomers, competitive reaction between dGMP and dAMP gives 40-62% of the total exocyclic amino group adducts as dA adducts. A similar distribution of dG versus dA adducts had previously been observed on reaction of the BcPh DEs with DNA, except in the case of (+)-3(R),4(S)-dihydroxy-1(R),2(S)-epoxy-1,2,3, 4-tetrahydrobenzo[c]phenanthrene, which gives approximately 85% dA adducts on reaction with DNA. With the BaP DEs, 60-77% of the exocyclic amino group adducts formed upon competitive reaction with the free nucleotides are derived from dGMP. The observed dG selectivity of these BaP DEs is much smaller with the nucleotide mixture than it is with DNA, leading to the conclusion that DNA structure has a much larger modifying effect on the base selectivity of the BaP relative to the BcPh DEs.

Description

Bay 65-1942 free base is an ATP-competitive and selective IKKβ inhibitor.

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