5-(5,6-dimethoxy-1H-benzimidazol-1-yl)shy-3-[[4-(methylsulfonyl)shyphenyl]methoxy]-2-thiophenecarboxamideA benzimidazole analog and IKK inhibitor

5-(5,6-dimethoxy-1H-benzimidazol-1-yl)­-3-[[4-(methylsulfonyl)­phenyl]methoxy]-2-thiophenecarboxamide (CAS 916985-21-2)

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Synonym: CAY10575
Application: A benzimidazole analog and IKK inhibitor
CAS Number: 916985-21-2
Purity: ≥95%
Molecular Weight: 487.60
Molecular Formula: C22H21N3O6S2
* Refer to Certificate of Analysis for lot specific data (including water content).
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5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[4-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarboxamide is a potent benzimidazole analog that inhibits IKK-ε with an IC50 value of ~15.8 μM (1), where IKK-ε is mostly expressed n immune cells and thought to play a role in immune response.


References

1 Bamborough, P., Christopher, J.A., Cutler, G.J., et al. 5-(1H-benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-e kinase. Biooganic & Medicinal Chemistry Letters 16 6236-6240 (2006).

Physical State :
Solid
Solubility :
Soluble in DMSO (~10 mg/ml), DMF (~1 mg/ml), and DMSO: PBS(pH7.2) (1:4) (~0.2 mg/ml).
Storage :
Store at -20° C
Boiling Point :
735.37° C at 760 mmHg (Predicted)
Density :
1.46 g/cm3 (Predicted)
Refractive Index :
n20D 1.67 (Predicted)
IC50 :
Plk: IC50 = 75 nM (human); IKK-ε: IC50 ~15.8 µM; HCT-116: IC50 >30 µM (human)
pK Values :
pKb: 3.39 (Predicted)
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
PubChem CID :
25190912
MDL Number :
MFCD10567699
SMILES :
COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=C(C=C4)S(=O)(=O)C)OC

Download SDS (MSDS)

Certificate of Analysis

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