HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nppb
5-NITRO-2-(3-PHENYLPROPYLAMINO)BENZOIC ACID · NPPB · ANFB · C13705 · Iso-ANP · Compound 144 · NPPB, 10 mM in DMSO · NPPB, chloride channel blocker
Identifikatoren & physikalische Daten
| CAS No. | 107254-86-4 |
|---|---|
| Summenformel | C16H16N2O4 |
| Durchschnittliche Molmasse | 300,31 g/mol |
| Monoisotopische Masse | 300,111007 g/mol |
| SMILES | O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1 |
| InChIKey | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| PubChem CID | 4549 |
| ChEMBL | CHEMBL1256759 |
| ChEBI | CHEBI:34457 |
| DTXSID | DTXSID90147978 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 377 |
| Löslichkeit | >45 [ug/mL] (The mean of the results at pH 7.4)ethanol: 3 mg/mL |
| Schmelzpunkt | 178-180℃ |
| Siedepunkt | 523.5±50.0 °C(Predicted) |
| Dichte | 1.323±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Yellow solid |
| pKa (Säurekonstante) | 2.27±0.22(Predicted) |
| Farbe | Light yellow to yellow |
| InChI | 1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) |
| InChIKey | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+]([O-])=O |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
NPPB is a chloride channel blocker and acts as a GPR35 agonist. It maintains protonophoric activity and has been used to uncouple mitochondrial ATP synthesis in phagocytes.