HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Vidofludimus
4SC-101 · Vidofludimus Calcium · CS-1196 · SC12267) · VidofludiMus · 113. Vidofludimus · VidofludiMus(4SC-101 · Vidofludimus, 10 mM in DMSO
Identifikatoren & physikalische Daten
| CAS No. | 717824-30-1 |
|---|---|
| Summenformel | C20H18FNO4 |
| Durchschnittliche Molmasse | 355,4 g/mol |
| Monoisotopische Masse | 355,12198622 g/mol |
| SMILES | COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1 |
| InChIKey | XPRDUGXOWVXZLL-UHFFFAOYSA-N |
| PubChem CID | 9820008 |
| ChEMBL | CHEMBL197194 |
| EC No. | 615-418-4 |
| DTXSID | DTXSID50431325 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 576 |
| Siedepunkt | 567.5±50.0 °C(Predicted) |
| Dichte | 1.354±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | insoluble in H2Oinsoluble in EtOH≥103 mg/mL in DMSO |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4+-.0.20(Predicted) |
| Farbe | Light yellow to gray |
| InChI | InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25) |
| InChIKey | XPRDUGXOWVXZLL-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)CCCC=1C(NC1=CC=C(C2=CC=CC(OC)=C2)C=C1F)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1 |
Anwendungen & Verwendung
Verwenden
Vidofludimus is an immunosuppressive drug that inhibits dihydroorotate dehydrogenase (DHODH) and the expression of proinflammatory cytokines including interleukin-17 (IL17A and IL17F) and interferon-gamma.