HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cysteinesulfinic acid, (A+-)-
Cysteine sulfinate · Alanine, 3-sulfino- · cysteine sulfinic acid · Alanine 3-sulfinic acid · Acetylcysteine Impurity 34 · L-Cysteine sulfinic acid 2 · Cysteine hydrogen sulfite ester
Identifikatoren & physikalische Daten
| CAS No. | 2381-08-0 |
|---|---|
| Summenformel | C3H7NO4S |
| Durchschnittliche Molmasse | 153,16 g/mol |
| Monoisotopische Masse | 153,0095787 g/mol |
| SMILES | NC(CS(=O)O)C(=O)O |
| InChIKey | ADVPTQAUNPRNPO-UHFFFAOYSA-N |
| PubChem CID | 109 |
| ChEMBL | CHEMBL1702607 |
| DTXSID | DTXSID201336725 |
Chemische & physikalische Eigenschaften
| XLogP | -4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 120 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 136 |
| Löslichkeit | >23 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 133.7 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]133.4 Ų [M+H]+ |
| Siedepunkt | 492.8±55.0 °C(Predicted) |
| Dichte | 1.828±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 2.30±0.10(Predicted) |
Anwendungen & Verwendung
Verwenden
Cysteinesulfinic acid is formed by selective oxidation of the active-site of cysteine of peroxiredoxins and leads to inactivation of peroxidase activity.