HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CS-2563 · PNU 74654 · PNU74654 · PNU-74654, 10 mM in DMSO · PNU 74654, Wnt signaling pathway blocker · N'-((5-Methylfuran-2-yl)methylene)-2-phenoxybenzohydrazide · 2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazide · Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
![Molekülstruktur von Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide](/img/chemical/9836739.png)
Identifikatoren & physikalische Daten
| CAS No. | 113906-27-7 |
|---|---|
| Summenformel | C19H16N2O3 |
| Durchschnittliche Molmasse | 320,3 g/mol |
| Monoisotopische Masse | 320,11609238 g/mol |
| SMILES | Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1 |
| InChIKey | JJEDWBQZCRESJL-DEDYPNTBSA-N |
| PubChem CID | 9836739 |
| ChEMBL | CHEMBL254381 |
| ChEBI | CHEBI:228251 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 434 |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: >10mg/mL |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 12.12±0.46(Predicted) |
| Farbe | white to off-white |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months. |
| InChI | 1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+ |
| InChIKey | JJEDWBQZCRESJL-DEDYPNTBSA-N |
| SMILES | Cc1ccc(\C=N\NC(=O)c2ccccc2Oc3ccccc3)o1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
PNU 74654 is a β-catenin inhibitor which inhibits interactions between β-catenin and transcription factor T-cell factor 4 (Tcf4) thus disrupting the Wnt signal transduction pathway.