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IKK-3 Inhibitor

Names

[ CAS No. ]:
862812-98-4

[ Name ]:
IKK-3 Inhibitor

[Synonym ]:
HMS3229F19
5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(methylsulfonyl)benzyl]oxy}-2-thiophenecarbonitrile
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(methylsulfonyl)benzyl]oxy}thiophene-2-carbonitrile
2-Thiophenecarbonitrile, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-
IKK-3 Inhibitor

Biological Activity

[Description]:

IKK-3 Inhibitor is a dual inhibitor of TBK1 and IKKε with IC50s of 93 nM and 469 nM, respectively. IKK-3 Inhibitor also inhibits IKK2 with an IC50 of 790 nM.

[Related Catalog]:

Research Areas >> Inflammation/Immunology

[Target]

TBK1:93 nM (IC50)

IKK-ε:469 nM (IC50)

IKK2:790 nM (IC50)


[In Vitro]

IKK-3 Inhibitor (Compound 1) inhibits TBK1 enzyme with an IC50 of 93 nM, which also translates into good cell potency (72 nM). Moreover, IKK-3 Inhibitor exhibits excellent selectivity against cell-cycle kinases CDK2 and AurB[1]. IKK-3 Inhibitor (Compound 13) is a novel IκB kinase 2 (IKK2) inhibitor with an IC50 of 790 nM[2].

[References]

[1]. Johannes JW, et al. Discovery of 6-aryl-azabenzimidazoles that inhibit the TBK1/IKK-ε kinases. Bioorg Med Chem Lett. 2014 Feb 15;24(4):1138-43.

[2]. Xie HZ, et al. Pharmacophore modeling and hybrid virtual screening for the discovery of novel IκB kinase 2 (IKK2) inhibitors. J Biomol Struct Dyn. 2011 Aug;29(1):165-79.


[Related Small Molecules]

Resveratrol | MRT67307 | BMS-345541 | MLN120B | ACHP (Hydrochloride) | TPCA-1 | IKK-16 | IMD 0354 | LY2409881 | SC-514 | BI 605906 | Bay 65-1942 (hydrochloride) | TBK1/IKKε-IN-2 | AZD3264 | PS-1145

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
744.4±70.0 °C at 760 mmHg

[ Molecular Formula ]:
C22H19N3O5S2

[ Molecular Weight ]:
469.533

[ Flash Point ]:
404.0±35.7 °C

[ Exact Mass ]:
469.076599

[ PSA ]:
140.06000

[ LogP ]:
2.57

[ Vapour Pressure ]:
0.0±2.5 mmHg at 25°C

[ Index of Refraction ]:
1.658

[ Storage condition ]:
2-8℃

Related Compounds