HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
NU-2058
CS-2601 · NU2058>NU2058 ，S5316 · 2-aMino-6-purine · NU2058, 10 mM in DMSO · NU 2058 · NU-2058 · NU2058 · O-Cyclohexylmethylguanine
Identifikatoren & physikalische Daten
| CAS No. | 161058-83-9 |
|---|---|
| Summenformel | C12H17N5O |
| Durchschnittliche Molmasse | 247,3 g/mol |
| Monoisotopische Masse | 247,14331018 g/mol |
| SMILES | Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |
| InChIKey | MWGXGTJJAOZBNW-UHFFFAOYSA-N |
| PubChem CID | 4564 |
| ChEMBL | CHEMBL269881 |
| EC No. | 633-908-6 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 89,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 271 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 199°C(lit.) |
| Siedepunkt | 424.8±55.0 °C(Predicted) |
| Dichte | 1.52±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | DMSO: 22 mg/mL |
| pKa (Säurekonstante) | 7.36±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | white |
| InChI | InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) |
| InChIKey | MWGXGTJJAOZBNW-UHFFFAOYSA-N |
| SMILES | N1C2C(=NC(N)=NC=2OCC2CCCCC2)NC=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933.99.9000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
NU 2058 is an inhibitor of cyclin-dependent kinase 1 (Cdk1) and Cdk2 (IC50s = 7.0 and 17 μM, respectively). Increased Cdk activity is often associated with human tumors, and inhibitors of Cdks, including NU 2058, can arrest cell cycling in cancer cells in vitro.
Verwenden
NU 2058 is an intermediate of NU 6140 (N925295), a cyclin-dependant kinase 2 inhibitor which demonstrates 10-36 fold selectivity against Cdk2-cyclin A. This selectivity induces cell-cycle arrest at the G2-M phase and potentiates the apoptotic effect of pacitaxel.