| Identification | Back Directory | [Name]
CAY10575 | [CAS]
916985-21-2 | [Synonyms]
CAY10575
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[4-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarboxamide | [Molecular Formula]
C22H21N3O6S2 | [MDL Number]
MFCD10567699 | [MOL File]
916985-21-2.mol | [Molecular Weight]
487.55 |
| Chemical Properties | Back Directory | [Boiling point ]
735.4±70.0 °C(Predicted) | [density ]
1.46±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 1mg/mL; DMSO: 10mg/mL; DMSO:PBS(7.2pH) 1:4: 0.2mg/mL | [form ]
A crystalline solid | [pka]
15.02±0.50(Predicted) | [color ]
tan | [InChI]
1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26) | [InChIKey]
YYZTVTZCYVZGRB-UHFFFAOYSA-N |
| Hazard Information | Back Directory | [Description]
CAY10575 is a benzimidazole analog IKK-ε inhibitor that inhibits IKK-ε with an IC50 value of ~15.8 μM. | [Uses]
IKK2-IN-3 (Compound 8) is an IKK2 inhibitor with an IC50 of 0.075 μM[1]. | [Definition]
ChEBI: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(4-methylsulfonylphenyl)methoxy]-2-thiophenecarboxamide is a member of benzimidazoles. | [IC 50]
IKK2: 0.075 μM (IC50) | [References]
[1] 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. DOI:10.1080/07391102.2011.10507381 |
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BOC Sciences
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Merck KGaA
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Abcam Limited
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OTAVA chemicals
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www.otavachemicals.com |
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