Merimepodib
VI 21497 · Merimepodib (VX-497) · Merimepodib (VI-21497 · Merimepodib, 10 mM in DMSO · MeriMepodib, VI-21497, VX-497 · MERIMEPODIB · VX497 · VX-497
Identifikatoren & physikalische Daten
| CAS No. | 198821-22-6 |
|---|---|
| Summenformel | C23H24N4O6 |
| Durchschnittliche Molmasse | 452,5 g/mol |
| Monoisotopische Masse | 452,16958449 g/mol |
| SMILES | COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 |
| InChIKey | JBPUGFODGPKTDW-SFHVURJKSA-N |
| PubChem CID | 153241 |
| ChEMBL | CHEMBL304087 |
| DTXSID | DTXSID70173639 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 124 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 652 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 3.6 |
| Siedepunkt | 571.4±50.0 °C(Predicted) |
| Dichte | 1.36±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | ≥45.2 mg/mL in DMSOinsoluble in EtOHinsoluble in H2O |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 11.66±0.46(Predicted) |
| Farbe | Off-white to light yellow |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
Merimepodib is an inhibitor of inosine-5''-monophosphate dehydrogenase (IMPDH; Kis = 7 and 10 nM for IMPDH type I and type II, respectively) with antiviral and immunosuppressant activities. It reduces Ebola, Lassa, chikungunya, Junin, and Zika virus titers in vitro and inhibits Zika virus replication in Huh7 cells (EC50 = 0.6 μM). Merimepodib inhibits the proliferation of PHA-stimulated T cells and SPAS-stimulated B cells (IC50s = 104 and 132 nM, respectively), effects that can be reversed by guanosine but not adenosine . In vivo, merimepodib (50 and 100 mg/kg) increases allograft survival in a murine skin transplantation model and prevents development of graft versus host disease (GVHD) in splenocyte allografted mice.
Verwenden
Inhibition of inosine monophosphate dehydrogenase (IMPDH), which has potential antiviral, antiproliferative, antiparasitic, and immunosuppressive activity.