Dinatrium-3,4,5,6-tetrachlor-2-(2,4,5,7-tetraiod-6-oxido-3-oxoxanthen-9-yl)benzoat
ROSE BENGAL · RB · BENGAL ROSE · Rose red · ROSE BENGAL SODIUM SALT · ROSE BENGALE · ROSE BENGAL DISODIUM SALT · TNF-α ELISA
Identifikatoren & physikalische Daten
| CAS No. | 632-69-9 |
|---|---|
| Summenformel | C20H2Cl4I4Na2O5 |
| Durchschnittliche Molmasse | 1.017,6 g/mol |
| SMILES | O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+] |
| InChIKey | UWBXIFCTIZXXLS-UHFFFAOYSA-L |
| PubChem CID | 32343 |
| ChEMBL | CHEMBL2359093 |
| EC No. | 211-183-3 |
| Lokaler Name | Dinatrium-3,4,5,6-tetrachlor-2-(2,4,5,7-tetraiod-6-oxido-3-oxoxanthen-9-yl)benzoat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 89,5 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 936 |
| Schmelzpunkt | >300°C |
| Lagerbedingungen | Store at +15°C to +30°C. |
| Löslichkeit | H2O: soluble1mg/mL |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.9, 4.7(at 25℃) |
| Farbe | Red-brown |
| Merck | 14,8262 |
| BRN | 3645857 |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/q2*+1/p-2 |
| InChIKey | UWBXIFCTIZXXLS-UHFFFAOYSA-L |
| SMILES | [Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(I)=C3Oc4c(I)c([O-])c(I)cc24 |
| CAS Datenbank | 632-69-9(CAS DataBase Reference) |
| EPA chemische Informationen | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt (632-69-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 89.5% (68 of 76) of all reports.WarningH319 (10.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (10.5%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3264 8 / PGIII |
| Zollcode | 32129000 |
| RTECS-Nr. | LM5920000 |
| R-Sätze (R) | 36-36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Rose bengal is a xanthene dye, fluorescein derivative, and photosensitizer. It exhibits absorption/emission maxima of 548/567 nm, respectively. Rose bengal binds to S. aureus cells and decreases survival of photoirradiated S. aureus to 0.012% when used at a concentration of 1 μM. It generates singlet oxygen when exposed to photoirradiation in cell-free assays and induces potassium ion leakage from S. aureus and bovine erythrocytes in the presence of photoirradiation. Rose bengal inhibits the cytochrome P450 (CYP) isoform CYP3A4/5 and the UDP-glucuronosyltransferase (UGT) isoform UGT1A6 in human liver microsomes in a light-dependent manner, with IC50 values of 0.072 and 0.035 μM, respectively, in yellow light, 3.1 and 4.2 μM, respectively, in ambient light, and 3 and 4.2 μM, respectively, in the dark. It has been used for staining of live cells, but exhibits both intrinsic and phototoxicity.
Verwenden
Rose Bengal Sodium Salt is used in biological studies as potential for use as sensitizers in photodynamic and sonodynamic therapy by synthesizing Rose Bengal amphiphilic derivatives. This compound has neuroprotective properties.