ChemicalBook--->CAS DataBase List--->862812-98-4

862812-98-4

862812-98-4 Structure

862812-98-4 Structure
IdentificationBack Directory
[Name]

CAY10576
[CAS]

862812-98-4
[Synonyms]

CAY10576
IKK-3 Inhibitor
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarbonitrile
2-Thiophenecarbonitrile, 5-(5,6-diMethoxy-1H-benziMidazol-1-yl)-3-[[2-(Methylsulfonyl)phenyl]Methoxy]-
[Molecular Formula]

C22H19N3O5S2
[MDL Number]

MFCD10567700
[MOL File]

862812-98-4.mol
[Molecular Weight]

469.53
Chemical PropertiesBack Directory
[Boiling point ]

744.4±70.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 45 mg/mL (95.84 mM; Need ultrasonic)
[form ]

Powder
[pka]

3.09±0.10(Predicted)
[color ]

Light yellow to yellow
[InChI]

1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
[InChIKey]

LDTAHRLHGHFHKP-UHFFFAOYSA-N
Safety DataBack Directory
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

GSK 319347A is a potent and selective IKKε kinase inhibitor.
[Definition]

ChEBI: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile is a member of benzimidazoles.
[Biological Activity]

Cell permeable: no''Primary Target
IKK-3''Product competes with ATP.''Reversible: no''Target IC50: 40 nM against IKK-3 (IKK-ε)
[IC 50]

TBK1: 93 nM (IC50); IKK-ε: 469 nM (IC50); IKK2: 790 nM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

CAY10576(862812-98-4)1HNMR
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