HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Decylubiquinone
DECYLUBIQUINONE · 6-decylubiquinone · Decylubiquinone (2,3-Dmdb) · Decylubiquinone(solution in ethanol) · Decylubiquinone (2,3-Dmdb), MPTP inhibitor · 2,3-DIMETHOXY-5-METHYL-6-DECYL-1,4-BENZOQUINONE · 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione · 2,5-Cyclohexadiene-1,4-dione, 2-decyl-5,6-dimethoxy-3-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 55486-00-5 |
|---|---|
| Summenformel | C19H30O4 |
| Durchschnittliche Molmasse | 322,4 g/mol |
| Monoisotopische Masse | 322,21440943 g/mol |
| SMILES | CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O |
| InChIKey | VMEGFMNVSYVVOM-UHFFFAOYSA-N |
| PubChem CID | 2971 |
| ChEMBL | CHEMBL217894 |
| ChEBI | CHEBI:52020 |
| EC No. | 621-794-0 |
| DTXSID | DTXSID20204063 |
Chemische & physikalische Eigenschaften
| XLogP | 6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 486 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 452.9±45.0 °C(Predicted) |
| Dichte | 1.02±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Soluble in DMSO (up to 10 mg/ml) |
| Aggregatzustand | Neat yellow to orange colored oil. |
| Farbe | Yellow or orange |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
| InChI | 1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3 |
| InChIKey | VMEGFMNVSYVVOM-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O |
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 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Decylubiquinone is inhibits the Ca2+-dependent mitochondrial permeability transition pore (MPTP) and also inhibits etoposide-induced apoptosis.