HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-5-nitro-N-phenylbenzamide
2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE · GW9662 · CS-762 · M6191 GW9662 · GW9662, >=98% · GW9662 ，S2915 · GW 9662 · GW9662 USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 22978-25-2 |
|---|---|
| Summenformel | C13H9ClN2O3 |
| Durchschnittliche Molmasse | 276,679 g/mol |
| Monoisotopische Masse | 276,03016983 g/mol |
| SMILES | O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl |
| InChIKey | DNTSIBUQMRRYIU-UHFFFAOYSA-N |
| PubChem CID | 644213 |
| ChEMBL | CHEMBL375270 |
| ChEBI | CHEBI:79993 |
| EC No. | 636-590-7 |
| DTXSID | DTXSID8040723 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 158-159 °C (lit.) |
|---|---|
| Siedepunkt | 360.9±32.0 °C(Predicted) |
| Dichte | 1.440±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: 26 mg/mL, soluble |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 11.77±0.70(Predicted) |
| Farbe | white |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months. |
| InChI | 1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17) |
| InChIKey | DNTSIBUQMRRYIU-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2 |
| CAS Datenbank | 22978-25-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29242990 |
| R-Sätze (R) | 36-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37-24/25-22 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
GW9662 has been used as a peroxisome proliferator activated receptor γ (PPARγ) antagonist in human pluripotent stem cells, in phenylephrine stimulated cardiomyocytes and to inhibit the protective effect of telmisartan pheochromocytoma, PC12 cells.