CID-2858522
CID-2858522 Basic information
- Product Name:
- CID-2858522
- Synonyms:
-
- CID 2858522;CID2858522
- 100844
- CID-2858522
- 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
- 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-(3-hydroxypropylamino)-5,6-dimethyl-1H-benzo[d]imid
- Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]-
- CID 2858522,Nuclear factor-kappaB,CID-2858522,NF-κB,Nuclear factor-κB,inhibit,CID2858522,Inhibitor
- CAS:
- 758679-97-9
- MF:
- C28H39N3O3
- MW:
- 465.63
- EINECS:
- 804-713-5
- Product Categories:
-
- NF-kB
- Mol File:
- 758679-97-9.mol
CID-2858522 Chemical Properties
- 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)
- pka
- 8.46±0.40(Predicted)
- form
- powder
- 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
CID-2858522 Usage And Synthesis
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)
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