中文名 | CID-2858522 |
英文名 | CID-2858522 |
英文别名 | 100844 CID2858522 CID-2858522 CID 2858522 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]- |
CAS | 758679-97-9 |
EINECS | 804-713-5 |
化学式 | C28H39N3O3 |
分子量 | 465.63 |
密度 | 1.12±0.1 g/cm3(Predicted) |
沸点 | 618.9±65.0 °C(Predicted) |
溶解度 | DMSO: 溶解2mg/mL,澄清 (温热) |
酸度系数 | 8.46±0.40(Predicted) |
存储条件 | 2-8°C |
外观 | 粉末 |
颜色 | white to beige |
MDL号 | MFCD20755108 |
体外研究 | CID-2858522 (Compound 1) inhibits antigen receptor-mediated NF-κB with an IC 50 of 70 nM. CID-2858522 also inhibits testosterone hydroxylase in the presence of human liver microsomes (HLM) and an NADPH generating system with an IC 50 of 85 μM. In the HEK293 cell line used for primary screening, CID-2858522 suppresses NF-κB reporter gene activity in a concentration-dependent manner, with IC 50 ~70 nM and with maximum inhibition achieved at 0.25-0.5 μM. In contrast, CID-2858522 does not inhibit TNF-induced NF-κB-reporter gene activity at concentrations as high as 4 μM, thus demonstrating selectivity for the NF-κB pathway activated by PMA/Ionomycin. Cell viability assays indicate that CID-2858522 is not toxic to HEK293 cells at concentrations ≤8 μM. CID-2858522 also potently inhibits PMA/Ionomycin-induced NF-κB reporter gene activity in transient transfection assays. |
体内研究 | 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. |
危险品标志 | T - 有毒物品 |
风险术语 | 25 - 吞食有毒。 |
安全术语 | 45 - 若发生事故或感不适,立即就医(可能的话,出示其标签)。 |
危险品运输编号 | UN 2811 6.1 / PGIII |
WGK Germany | 3 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.148 ml | 10.738 ml | 21.476 ml |
5 mM | 0.43 ml | 2.148 ml | 4.295 ml |
10 mM | 0.215 ml | 1.074 ml | 2.148 ml |
5 mM | 0.043 ml | 0.215 ml | 0.43 ml |
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