ACONINE
ACONINE · Aconitysat · Jesaconine · ACONINE USP/EP/BP · Aconine (Jesaconine) · Aconine, 10 mM in DMSO · 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13... · 20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15α-pentol
Identifikatoren & physikalische Daten
| CAS No. | 509-20-6 |
|---|---|
| Summenformel | C25H41NO9 |
| Durchschnittliche Molmasse | 499,6 g/mol |
| SMILES | CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(O)[C@H]2[C@@H](O)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O |
| PubChem CID | 20054813 |
| ChEBI | CHEBI:132639 |
| EC No. | 112-353-9 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 129-131℃ |
|---|---|
| Siedepunkt | 590.79°C (rough estimate) |
| Dichte | 1.42 |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| pKa (Säurekonstante) | 9.52(at 25℃) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
Anwendungen & Verwendung
Beschreibung
Aconine is an alkaloid originally isolated from Aconitum species and active metabolite of aconitine. It inhibits osteoclast differentiation of RANKL-stimulated RAW 264.7 cells and bone resorption in a pit formation assay in a concentration-dependent manner. Aconine also inhibits RANKL-induced activation of NF-κB and NFATc1 in RAW 264.7 cells. In vivo, aconine is toxic to mice when administered intravenously at a dose of 120 mg/kg. It induces flaccid paralysis and toxicity in rats with toxic dose (TD50) and LD50 values of 1.5 and 1.7 μmol per animal, respectively.