Cp-724714
714 · CP724 · CP-724 · CP 724 · CS-2306 · CP-724714（b） · CP 724714 NEW · CP-724714, 10 mM in DMSO
Identifikatoren & physikalische Daten
| CAS No. | 383432-38-0 |
|---|---|
| Summenformel | C27H27N5O3 |
| Durchschnittliche Molmasse | 469,5 g/mol |
| Monoisotopische Masse | 469,21138974 g/mol |
| SMILES | COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 |
| InChIKey | LLVZBTWPGQVVLW-SNAWJCMRSA-N |
| PubChem CID | 9874913 |
| ChEMBL | CHEMBL483321 |
| ChEBI | CHEBI:167658 |
| DTXSID | DTXSID401026009 |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 98,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 692 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 687.3±55.0 °C(Predicted) |
| Dichte | 1.251 |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMF: 3 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 3 mg/mlEthanol: 2 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 13.95±0.46(Predicted) |
| Farbe | Light yellow to yellow |
| InChIKey | LLVZBTWPGQVVLW-SNAWJCMRSA-N |
| SMILES | COCC(NC/C=C/C1=CC=C(N=CN=C2NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1)=O |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
CP 724,714 is a selective inhibitor of HER2/ErbB2 with an IC50 value of 10 nM. It demonstrates greater than 640-fold selectivity against EGFR, InsR, IRG-1R, PDGFR, VEGFR2, Abl, Src, and c-Met. CP 724,714 has been shown to inhibit the proliferation of ErbB2-amplified cells, including BT474 and SK-BR-3 with IC50 values of 0.25 and 0.95 μM, respectively. It also demonstrates antitumor activity in various human tumor xenograft models. However, CP 724,714 was discontinued from clinical development due to hepatotoxicity caused by its ability to inhibit hepatic efflux transporters at low micromolar concentrations.
Verwenden
CP 724714 is a HER-2 tyrosine kinase inhibitor used in tumor treatments for HER2 positive solid tumors.