Top Suppliers:I want be here


862812-98-4

862812-98-4 structure
862812-98-4 structure
  • Name: IKK-3 Inhibitor
  • Chemical Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
  • CAS Number: 862812-98-4
  • Molecular Formula: C22H19N3O5S2
  • Molecular Weight: 469.533
  • Catalog: Research Areas Inflammation/Immunology
  • Create Date: 2017-07-09 04:03:33
  • Modify Date: 2024-01-08 23:24:42
  • 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.

Name 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
Synonyms 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
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
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.

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℃