HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
S-Nitroso-N-acetylpenicillamine, (+-)
SNAP · S-NITROSO-N-ACETYL-D,L-PENICILLAMINE · 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid · SUP · RIC4 · SEC9 · SNP25 · CMS18
Identifikatoren & physikalische Daten
| CAS No. | 67776-06-1 |
|---|---|
| Summenformel | C7H12N2O4S |
| Durchschnittliche Molmasse | 220,25 g/mol |
| Monoisotopische Masse | 220,05177804 g/mol |
| SMILES | CC(=O)NC(C(=O)O)C(C)(C)SN=O |
| InChIKey | ZIIQCSMRQKCOCT-UHFFFAOYSA-N |
| PubChem CID | 5231 |
| ChEMBL | CHEMBL27308 |
| EC No. | 636-172-4 |
| DTXSID | DTXSID70987112 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 121 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 254 |
| Schmelzpunkt | 150.5°C |
| Dichte | 1.4261 (rough estimate) |
| Brechungsindex | 1.5400 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: ≥2 mg/mLH2O: ≥2mg/mLDMSO: ≥20mg/mL, clear (faint green to very dark green) |
| pKa (Säurekonstante) | 3.06±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | green |
| InChI | 1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12) |
| InChIKey | ZIIQCSMRQKCOCT-UHFFFAOYSA-N |
| SMILES | CC(=O)NC(C(O)=O)C(C)(C)SN=O |
| CAS Datenbank | 67776-06-1(CAS DataBase Reference) |
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 38 reports by companies from 1 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 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
SNAP is an S-nitrosothiol which serves as a NO donor and a potent vasodilator. Its stability in solution varies from seconds to hours depending on temperature, buffer composition and metal content. At pH 6-8 and 37°C, the half-life of SNAP is approximately six hours in the presence of transition metal ion chelators.
Verwenden
Produced concentration-related relaxations of mouse anococcygeus, in a range similar to that already found for NO and other nitrovasodilators. A potent relaxant of non-vascular smooth muscle. Serves as an NO donor.