Bifonazol
mycospor · bifonazol · Bifonazole API · 1[4,ALPHA-DIPHENYLBENZYL]-IMIDAZOLE · 1-[phenyl-(4-phenylphenyl)-methyl]imidazole · 1-([1,1'-Biphenyl]-4-yl(phenyl)methyl)-1H-imidazole · Amycor · Bedrid
Identifikatoren & physikalische Daten
| CAS No. | 60628-96-8 |
|---|---|
| Summenformel | C22H18N2 |
| Durchschnittliche Molmasse | 310,4 g/mol |
| Monoisotopische Masse | 310,14699858 g/mol |
| SMILES | c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1 |
| InChIKey | OCAPBUJLXMYKEJ-UHFFFAOYSA-N |
| PubChem CID | 2378 |
| ChEMBL | CHEMBL277535 |
| ChEBI | CHEBI:78692 |
| EC No. | 262-336-6 |
| DTXSID | DTXSID9045631 |
| Lokaler Name | Bifonazol |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 362 |
| LogP (Verteilungskoeffizient) | 4.77 |
| Löslichkeit | 2.45e-03 g/L0.7 [ug/mL] (The mean of the results at pH 7.4)Soluble in DMSO |
| Schmelzpunkt | 142142℃ |
| Physical Description | Solid |
| Collision Cross Section | 184.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]171.48 Ų [M+H]+ [CCS Type: TW177.23 Ų [M+K]+ [CCS Type: TW |
| Siedepunkt | 440.55°C (rough estimate) |
| Dichte | 1.1150 (rough estimate) |
| Brechungsindex | 1.7620 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 6.55±0.22(Predicted) |
| Farbe | white to off-white |
| Merck | 14,1213 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTI-SEBORRHEICANTIMICROBIAL |
| InChI | InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H |
| InChIKey | OCAPBUJLXMYKEJ-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(N1C=NC=C1)C1C=CC(C2C=CC=CC=2)=CC=1 |
| LogP (Verteilungskoeffizient) | 4.770 |
| CAS Datenbank | 60628-96-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 29332900 |
| RTECS-Nr. | NI3517000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 in male mice, rats (mg/kg): 2629, 2854 orally (Schlüter) |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Bifonazole represents the first topical broad spectrum antimycotic approved for once daily administration. Its in vitro activity appears equivalent to its structural relative clotrimazole, being effective against dermatophytes, other filamentous fungi, dimorphic fungi and yeasts.
Verwenden
Bifonazole is an imidazole antifungal agent and calmodulin antagonist. It causes a reduction in glycolysis and ATP levels in B16 melanoma cells. Bifonazole is an inhibitor of C14orf1. Bifonazole is an imidazole-based anti-fungal agent with broad spectrum activity against many fungi, molds, yeast and some gram-positive bacteria. Bifonazole inhibits ergosterol biosynthetic protein 28 and Cytochrome P450 2B4.