HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Imd-0354
IMD 0354 ，S2864 · IMD 0354 · IMD-0354 · IMD-0354 USP/EP/BP · IMD-0354, 10 mM in DMSO · IMD 0354, IKKbeta inhibitor · IKK-2 INHIBITOR V · IMD0354
Identifikatoren & physikalische Daten
| CAS No. | 978-62-1 |
|---|---|
| Summenformel | C15H8ClF6NO2 |
| Durchschnittliche Molmasse | 383,67 g/mol |
| Monoisotopische Masse | 383,0147752 g/mol |
| SMILES | O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O |
| InChIKey | CHILCFMQWMQVAL-UHFFFAOYSA-N |
| PubChem CID | 5081913 |
| ChEMBL | CHEMBL536151 |
| ChEBI | CHEBI:93310 |
| EC No. | 635-542-2 |
| DTXSID | DTXSID50243248 |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 462 |
| Siedepunkt | 323.1±42.0 °C(Predicted) |
| Dichte | 1.561 |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMSO (5 mg/ml) or Ethanol (1 mg/ml). |
| pKa (Säurekonstante) | 7.61±0.43(Predicted) |
| Aggregatzustand | White solid |
| Farbe | White to off-white |
| InChI | 1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25) |
| InChIKey | CHILCFMQWMQVAL-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F |
| CAS Datenbank | 978-62-1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
IMD-0354 has been used to study the effect of NF-κB (nuclear factor) inhibition on differentially expressed in chondrocytes 2. It has also been used to study the role of NF-κB signaling in tumor necrosis factor-induced certain transcription factors expression using human primary fibroblasts.