HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acivicin
AT-125 · U-42126 · ACIVICIN · (αS,5S)- · acivicine · nsc-163501 · antibioticat125 · AcivicinAcivicin
Identifikatoren & physikalische Daten
| CAS No. | 42228-92-2 |
|---|---|
| Summenformel | C5H7ClN2O3 |
| Durchschnittliche Molmasse | 178,57 g/mol |
| Monoisotopische Masse | 178,01451976 g/mol |
| SMILES | N[C@H](C(=O)O)[C@@H]1CC(Cl)=NO1 |
| InChIKey | QAWIHIJWNYOLBE-OKKQSCSOSA-N |
| PubChem CID | 294641 |
| ChEMBL | CHEMBL1231101 |
| ChEBI | CHEBI:74545 |
| DTXSID | DTXSID0046010 |
Chemische & physikalische Eigenschaften
| XLogP | -2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 84,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 206 |
| Löslichkeit | Water 17.9 - 18.2 (mg/mL)0.1 M Citrate buffer pH 4.3 17.1 - 25.7 (mg/mL)0.1 M Borate buffer pH 9.0 8.7 - 13.0 (mg/mL)0.1 N HCl 31 - 35 (mg/mL)0.1 N NaOH 34.4 - 36.8 (mg/mL)95% Ethanol 0.8 (mg/mL)H2O: soluble10mg/mL (warmed)Soluble in water at 10mg/ml with warming |
| Stability/Shelf Life | Bulk: A sample stored at 60 °C for 14 days showed no decomposition as indicated by UV absorption, paper chromatography, or ionic chloride determination. Solution: An aqueous solution (18 mg/mL) which was stored at 28°C for 14 days showed less than 1% decomposition by UV absorption, paper chromatography and ionic chloride measurement. |
| Schmelzpunkt | >200°C (dec.) |
| Siedepunkt | 341.6±48.0 °C(Predicted) |
| Dichte | 1.85±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 2.02±0.10(Predicted) |
| Aggregatzustand | White solid. |
| Farbe | white to beige |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| UN-Transportnummer | 3172 |
| RTECS-Nr. | NY2103000 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Azaserine and Acivicin are classical and irreversible inhibitors of γ-Glutamyltranspeptidase