HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Siguazodan
SKF 94836 · SIGUAZODAN · SK AND F-94836 · Siguazodan (SKF 94836) · Siguazodan, 10 mM in DMSO · SKF-94836,inhibit,Phosphodiesterase (PDE),SKF94836,Siguazodan,Inhibitor · N-Cyano-Nmethyl-Nⅱ-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]guanidine · N-CYANO-N'-METHYL-N''-[4-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL]GUANIDINE
Identifikatoren & physikalische Daten
| CAS No. | 115344-47-3 |
|---|---|
| Summenformel | C14H16N6O |
| Durchschnittliche Molmasse | 284,32 g/mol |
| Monoisotopische Masse | 284,13855916 g/mol |
| SMILES | CN=C(NC#N)Nc1ccc(C2=NNC(=O)CC2C)cc1 |
| InChIKey | NUHPODZZKHQQET-UHFFFAOYSA-N |
| PubChem CID | 72124 |
| ChEMBL | CHEMBL1256712 |
| ChEBI | CHEBI:91791 |
| EC No. | 634-221-4 |
| DTXSID | DTXSID0045202 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 495 |
| Schmelzpunkt | 268-268.9 °C(lit.) |
| Dichte | 1.31±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: >5 mg/mL, freely soluble |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 13.71±0.60(Predicted) |
| Farbe | white |
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 39 reports by companies from 2 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
Siguazodan is a selective phosphodiesterase PDE III inhibitor and a potent inotropic agent.