HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Dianilinophthalimide
DAPH-1 (DAPH · DAPH/CGP 52411 · CGP52411, 10 mM in DMSO · DAPH >=98% (HPLC), solid · 1H-Isoindole-1,3(2H)-dione, 5,6-bis(phenylamino)- · 4,5-Dianilinophthalimide, 5,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione, CGP 52411
Identifikatoren & physikalische Daten
| CAS No. | 145915-58-8 |
|---|---|
| Summenformel | C20H15N3O2 |
| Durchschnittliche Molmasse | 329,4 g/mol |
| Monoisotopische Masse | 329,11642673 g/mol |
| SMILES | O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21 |
| InChIKey | AAALVYBICLMAMA-UHFFFAOYSA-N |
| PubChem CID | 1697 |
| ChEMBL | CHEMBL268868 |
| ChEBI | CHEBI:53110 |
| EC No. | 406-050-3 |
| DTXSID | DTXSID4040393 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,2 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 453 |
| Schmelzpunkt | 199-202℃ |
| Dichte | 1.374 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: ~30 mg/mL |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 9.06±0.20(Predicted) |
| Farbe | orange |
| InChI | 1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25) |
| InChIKey | AAALVYBICLMAMA-UHFFFAOYSA-N |
| SMILES | O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12 |
Sicherheit & Vorschriften
| Regulatorische Informationen | REACH registered substance: DAPH (EC: 406-050-3) |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
CGP 52411 is a protein-tyrosine kinase inhibitor with selectivity for the epidermal growth factor receptor signal transduction pathway and potent in vivo antitmuor activity. It may offer therapeutic agents for the treatment of hyperproliferative diseases.