HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-((4-Methylphenyl)sulfonyl)-5-nitrofuran
NSC697923 · NSC697923 USP/EP/BP · 2-Nitro-5-tosylfuran · NSC697923, 10 mM in DMSO · NSC697923, UBE2N inhibitor · UbcH13 Inhibitor, NSC697923 · 2-Nitro-5-(toluene-4-sulfonyl)-furan · 2-[(4-Methylphenyl)sulfonyl]-5-nitrofur
Identifikatoren & physikalische Daten
| CAS No. | 343351-67-7 |
|---|---|
| Summenformel | C11H9NO5S |
| Durchschnittliche Molmasse | 267,26 g/mol |
| Monoisotopische Masse | 267,02014356 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1 |
| InChIKey | GAUHIPWCDXOLCZ-UHFFFAOYSA-N |
| PubChem CID | 394449 |
| ChEMBL | CHEMBL1698008 |
| EC No. | 803-500-4 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 402 |
| Schmelzpunkt | 124-126°C |
| Siedepunkt | 443.8±40.0 °C(Predicted) |
| Dichte | 1.416±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO: soluble20mg/mL, clear |
| Aggregatzustand | powder |
| Farbe | white to beige |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month. |
| InChI | 1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3 |
| InChIKey | GAUHIPWCDXOLCZ-UHFFFAOYSA-N |
| SMILES | [S](=O)(=O)(c2[o]c(cc2)[N+](=O)[O-])c1ccc(cc1)C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
NSC 697923 is a cell-permeable and selective inhibitor of the ubiquitin-conjugating (E2) enzyme Ubc13-Uev1A and exhibits potent cytotoxicity in a panel of Neuroblastoma (NB) cell lines. NSC 697923 also inhibits the proliferation and survival of diffuse large B-cell lymphoma cells (DLBCL).