| Identification | Back Directory | [Name]
CID-2858522 | [CAS]
758679-97-9 | [Synonyms]
100844
CID-2858522
CID 2858522;CID2858522
1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-(3-hydroxypropylamino)-5,6-dimethyl-1H-benzo[d]imid
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-(3-hydroxypropylaMino)-5,6-diMethyl-1H-benzo[d]iMidazol-1-yl)ethanone
1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]-ethanone
Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]- | [EINECS(EC#)]
804-713-5 | [Molecular Formula]
C28H39N3O3 | [MDL Number]
MFCD20755108 | [MOL File]
758679-97-9.mol | [Molecular Weight]
465.63 |
| Chemical Properties | Back Directory | [Boiling point ]
618.9±65.0 °C(Predicted) | [density ]
1.12±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble2mg/mL, clear (warmed) | [form ]
powder | [pka]
8.46±0.40(Predicted) | [color ]
white to beige | [InChI]
1S/C28H39N3O3/c1-17-12-22-23(13-18(17)2)31(26(30-22)29-10-9-11-32)16-24(33)19-14-20(27(3,4)5)25(34)21(15-19)28(6,7)8/h12-15,32,34H,9-11,16H2,1-8H3,(H,29,30) | [InChIKey]
CYCGGKILBWERDJ-UHFFFAOYSA-N | [SMILES]
Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]-ethanone is a selective benzimidazole inhibitor of the antigen receptor-mediated NF-κB activation pathway. | [Definition]
ChEBI: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-1-benzimidazolyl]ethanone is an aromatic ketone. | [Biochem/physiol Actions]
CID2858522 specifically inhibits NF-kB activation downstream of protein kinsase C (PKC). CID2858522 dose dependently inhibits NF-kB reporter activity in PMA-ionomycin stimulated HEK293 cells, but does not affect NF-kB activity in cells challenged with TNFa, retinoic acid, or stimulation of the toll-like receptor signaling pathway. | [in vivo]
In vivo dose-exposure profiling of CID-2858522 (Compound 1a) is conducted using a small cohort of three male mice. CID-2858522 exhibits nonlinear pharmacokinetics, showing higher serum levels at the 0.5 h measurement time for the 30 mg/kg dose compared to 50 mg/kg but displaying typical dose-dependent behavior when measured at t=3 h. The increasing accumulation seen at a dose of 50 mg/kg may be due to a depot effect created by CYP3A4 inhibition. The cohort exhibits clear signs of morbidity at t=3 h at the 50 mg/kg dose[2]. | [IC 50]
NF-κB: 70 nM (IC50) | [storage]
Store at -20°C |
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