p-Toluenesulfonamide, N-benzyl-
BTS · CLN3 · Battenin · NSC 37123 · N-Tosylbenzylamine · BTS, 10 mM in DMSO · N-Benzyl-p-tosylaMide · LABOTEST-BB LT00786416
Identifikatoren & physikalische Daten
| CAS No. | 1576-37-0 |
|---|---|
| Summenformel | C14H15NO2S |
| Durchschnittliche Molmasse | 261,34 g/mol |
| Monoisotopische Masse | 261,08234972 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1 |
| InChIKey | WTHKAJZQYNKTCJ-UHFFFAOYSA-N |
| PubChem CID | 95801 |
| ChEMBL | CHEMBL1332361 |
| ChEBI | CHEBI:114205 |
| DTXSID | DTXSID40166290 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 333 |
| Löslichkeit | 25.9 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), Dichloromethane, Ethyl Acetate (Slightly) |
| Schmelzpunkt | 115 °C |
| Siedepunkt | 419.1±48.0 °C(Predicted) |
| Dichte | 1.204±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 11.54±0.30(Predicted) |
| Aggregatzustand | White crystalline solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3 |
| InChIKey | WTHKAJZQYNKTCJ-UHFFFAOYSA-N |
| SMILES | C1(S(NCC2=CC=CC=C2)(=O)=O)=CC=C(C)C=C1 |
| CAS Datenbank | 1576-37-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2935.90.9500 |
| RTECS-Nr. | XT5490000 |
| Toxizität | rat,LD,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953. |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
BTS is an inhibitor of skeletal muscle myosin II ATPase activity that reduces the affinity of ADP-myosin for actin. It inhibits calcium-stimulated ATPase activity of rabbit muscle myosin subfragment 1 (S1) in an actin-independent manner with an IC50 value of approximately 5 μM. It is selective for calcium-stimulated myosin II over human platelet myosin II, kinesin, pyruvate kinase, and lactate dehydrogenase at 100 μM. BTS (2 μM) inhibits the activity of skeletal muscle myosin, reversibly reducing the sliding velocity of heavy meromyosin in a gliding-filament assay. It inhibits isometric calcium-activated tension in isolated fast-twitch rabbit psoas muscle fibers (IC50 = ~3 μM) but not in isolated slow-twitch rat trabeculae and papillary cardiac muscle. BTS is also an intermediate in the synthesis of sulfonamides.
Verwenden
A potent inhibitor of skeletal muscle Ca2+-stimulated myosin S1 ATPase (IC50 approx. 5uM) activity. Reversible blocks the gliding motility. Also weakens myosin interaction with F-actin. Does not affect platelet myosin II