HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nicergolin
nicergolin · 10-Methoxy-1,6-dimethylergoline-8β-methanol 5-bromonicotinate · mne · Memoq · fi6714 · TA 079 · Ergobel · CS-1354
Identifikatoren & physikalische Daten
| CAS No. | 27848-84-6 |
|---|---|
| Summenformel | C24H26BrN3O3 |
| Durchschnittliche Molmasse | 484,4 g/mol |
| Monoisotopische Masse | 483,11575 g/mol |
| SMILES | COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13 |
| InChIKey | YSEXMKHXIOCEJA-UHFFFAOYSA-N |
| PubChem CID | 4475 |
| ChEBI | CHEBI:95219 |
| DTXSID | DTXSID00860404 |
| Lokaler Name | Nicergolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 680 |
| Arzneimittel | Pharmaceuticals |
| Schmelzpunkt | 136-138° |
| Siedepunkt | 594.4±50.0 °C(Predicted) |
| Dichte | 1.3558 (rough estimate) |
| Brechungsindex | 1.6200 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Practically insoluble in water, freely soluble in methylene chloride, soluble in ethanol (96 per cent).Soluble in alcohol, chloroform, and acetone. Insoluble in water. |
| pKa (Säurekonstante) | 6.33±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,9496 |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule)veterinary |
| InChIKey | YSEXMKHXIOCEJA-AQDCORRGNA-N |
| SMILES | O([C@]12C[C@@H](COC(C3=CN=CC(Br)=C3)=O)CN(C)[C@]1([H])CC1=CN(C)C3=CC=CC2=C13)C |&1:1,3,18,r| |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| UN-Transportnummer | 1544 |
| Zollcode | 29396100 |
| RTECS-Nr. | KE6341000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 in male mice, rats (mg/kg): 860, 2800 orally46, 43 i.v. (Neumann, Lauschner) |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Nicergoline is a drug used for age-dependent cognitive impairment such as Alzheimers disease and other types of dementia. Nicergoline has shown to protect cultured neurons against β-amyloid toxicity. Nicergoline protects against neuronal cell death induced by activated microglia and astrocytes through the inhibition of inflammatory mediators and the upregulation of neurotrophic factors by glial cells. Nicergoline is a drug used for age-dependent cognitive impairment and it protects cultured neurons against β-amyloid toxicity.