| Company Name: |
ChemShuttle, Inc. |
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0510-83588313-811 18800520310 |
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sales@chemshuttle.com |
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| | 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 |
| Hazard Codes | T | | Risk Statements | 25 | | Safety Statements | 45 | | RIDADR | UN 2811 6.1 / PGIII | | WGK Germany | 3 | | Storage Class | 11 - Combustible Solids |
| | 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) |
| | CID-2858522 Preparation Products And Raw materials |
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