HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Echinocandin B
Ecb · A22082 · A30912A · A 30912A · A-30912A · Nsc287461 · 1)-peptide · Aids008606
Identifikatoren & physikalische Daten
| CAS No. | 54651-05-7 |
|---|---|
| Summenformel | C52H81N7O16 |
| Durchschnittliche Molmasse | 1.060,2 g/mol |
| Monoisotopische Masse | 1.059,57397952 g/mol |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O |
| InChIKey | FAUOJMHVEYMQQG-HVYQDZECSA-N |
| PubChem CID | 9898144 |
| ChEMBL | CHEMBL2374230 |
| ChEBI | CHEBI:315018 |
| EC No. | 658-057-8 |
| DTXSID | DTXSID301027535 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 368 |
| H-Brücken-Donoren | 14 |
| H-Brücken-Akzeptoren | 16 |
| Frei drehbare Bindungen | 20 |
| Schwere Atome | 75 |
| Formalladung | 0 |
| Komplexität | 1.940 |
| Siedepunkt | 1384.0±65.0 °C(Predicted) |
| Dichte | 1.37±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMF: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble |
| Aggregatzustand | A powder |
| pKa (Säurekonstante) | 9.86±0.26(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Echinocandin B: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Echinocandin B is the major analogue of a family of lipopeptides isolated from several species of Aspergillus, reported in 1974. Echinocandin B is a potent antifungal and acts by inhibiting the synthesis of β-(1,3)-D-glucan, an essential component of the cell wall of susceptible fungi.