HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
[3-[[[5-(Dimethylamino)-1-naphthyl]sulfonyl]amino]phenyl]metaborsure
FB-1【MOAB】 · RARECHEM AH PB 0012 · TYXMKSYBCDTGDU-UHFFFAOYSA-N · DANSYLAMINOPHENYLBORONIC ACID · DANSYL AMIDOPHENYL BORONIC ACID · M-DANSYLAMINOPHENYLBORONIC ACID · 3-(Dansylamino)phenylboronic acid · 3-(Dansylamido)benzeneboronic acid
![Molekülstruktur von [3-[[[5-(Dimethylamino)-1-naphthyl]sulfonyl]amino]phenyl]metaborsure](/img/chemical/150643.png)
Identifikatoren & physikalische Daten
| CAS No. | 75806-94-9 |
|---|---|
| Summenformel | C18H19BN2O4S |
| Durchschnittliche Molmasse | 370,2 g/mol |
| Monoisotopische Masse | 370,1158584 g/mol |
| SMILES | CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(B(O)O)c3)cccc12 |
| InChIKey | TYXMKSYBCDTGDU-UHFFFAOYSA-N |
| PubChem CID | 150643 |
| ChEMBL | CHEMBL140740 |
| EC No. | 278-319-1 |
| DTXSID | DTXSID00226723 |
| Lokaler Name | [3-[[[5-(Dimethylamino)-1-naphthyl]sulfonyl]amino]phenyl]metaborsure |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 98,3 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 566 |
| Siedepunkt | 599.3±60.0 °C(Predicted) |
| Dichte | 1.39±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 7.81±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light yellow to yellow |
| BRN | 8012268 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3 |
| InChIKey | TYXMKSYBCDTGDU-UHFFFAOYSA-N |
| SMILES | CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cccc(c3)B(O)O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Carbohydrate ligand in cell studies1; potent boronic acid serine protease inhibitor.2