HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Bis(bromomethyl)quinoxaline-1,4-dioxide
Conoidin A · Conoidin A, 10 mM in DMSO · Peroxiredoxin Inhibitor, Conoidin A · 1,4-Dioxo-2,3-dibromomethylquinoline · 2,3-Bis(bromomethyl)quinoxaline 1,4-dioxide · Quinoxaline, 2,3-bis(bromomethyl)-, 1,4-dioxide · 2,3-bis(broMoMethyl)-1-oxoquinoxalin-1-iuM-4(1H)-olate · antioxidative,antioxidant,heart disease,Parasite,Inhibitor,Peroxiredoxin II,hyperperoxidation,Conoidin A,ischaemic,inhibit,neuroprotective
Identifikatoren & physikalische Daten
| CAS No. | 18080-67-6 |
|---|---|
| Summenformel | C10H8Br2N2O2 |
| Durchschnittliche Molmasse | 347,99 g/mol |
| Monoisotopische Masse | 345,89525 g/mol |
| SMILES | O=[n+]1c(CBr)c(CBr)n([O-])c2ccccc21 |
| InChIKey | DQKNFTLRMZOAMG-UHFFFAOYSA-N |
| PubChem CID | 511509 |
| ChEMBL | CHEMBL4860684 |
| EC No. | 111-114-6 |
| DTXSID | DTXSID30333530 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 303 |
| Schmelzpunkt | 180-190 °C (decomp) |
| Siedepunkt | 512.3±60.0 °C(Predicted) |
| Dichte | 1.95±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMF: 25 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 20 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 1.91±0.30(Predicted) |
| Farbe | White to yellow |
| InChI | 1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2 |
| InChIKey | DQKNFTLRMZOAMG-UHFFFAOYSA-N |
| SMILES | BrCC1=C(N(c2c(cccc2)[N+]1=O)[O-])CBr |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
Conoidin A is a peroxiredoxin inhibitor.