HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ponalrestat
STATIL · MK-538 · ICI-plc · ICI-128436 · Ponalrestat · Ponalrestat (MK-538 · Ponalrestat - Bio-X ? · Ponalrestat, 10 mM in DMSO
Identifikatoren & physikalische Daten
| CAS No. | 72702-95-5 |
|---|---|
| Summenformel | C17H12BrFN2O3 |
| Durchschnittliche Molmasse | 391,2 g/mol |
| Monoisotopische Masse | 390,00153 g/mol |
| SMILES | O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 |
| InChIKey | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
| PubChem CID | 5278 |
| ChEMBL | CHEMBL7679 |
| ChEBI | CHEBI:93199 |
| DTXSID | DTXSID1045665 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 70 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 542 |
| LogP (Verteilungskoeffizient) | 2.68 |
| Schmelzpunkt | 184-186℃ (DEC.) |
| Dichte | 1.60 |
| Lagerbedingungen | Store at RT |
| Löslichkeit | DMF: 2 mg/mLDMSO: 2 mg/mLEthanol: 2 mg/mLPBS (pH 7.2): 0.2 mg/mL |
| Aggregatzustand | A crystalline solid |
| Farbe | White to off-white |
| InChI | InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23) |
| InChIKey | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
| SMILES | C12C=CC=CC=1C(=O)N(CC1=CC=C(Br)C=C1F)N=C2CC(=O)O |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Statil is an aldose reductase inhibitor that blocks the conversion of glucose to sorbitol. It demonstrates selectivity for aldose reductase 2 over aldose reductase 1 with Ki values of 7.7 nM and 60 μM, respectively. Statil has been shown to prevent diabetes-induced alterations of the cardiovascular system in 14-day streptozotocin-diabetic rats. Aldose reductase inhibition by statil has also been used to impair the synthesis of prostaglandin F2α by human cultured preadipocytes.
Verwenden
Statil is a knon aldose reductase inhibitor which blocks the conversion of glucose to sorbitol. In addition it suppresses cell cancer growth