HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Bapta
Glycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxyMethyl)- · BAPTA · CS-2002 · BAPTA,97% · BAPTA, >=98% · BAPTA, Free Acid · BAPTA, 10 mM in DMSO · 85233-19-8(free acid)
Identifikatoren & physikalische Daten
| CAS No. | 85233-19-8 |
|---|---|
| Summenformel | C22H24N2O10 |
| Durchschnittliche Molmasse | 476,4 g/mol |
| Monoisotopische Masse | 476,14309497 g/mol |
| SMILES | O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O |
| InChIKey | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| PubChem CID | 104751 |
| ChEMBL | CHEMBL1590868 |
| ChEBI | CHEBI:60888 |
| EC No. | 629-173-6 |
| DTXSID | DTXSID30234432 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 174 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 34 |
| Formalladung | 0 |
| Komplexität | 613 |
| Schmelzpunkt | 177-179 °C |
| Siedepunkt | 575.89°C (rough estimate) |
| Dichte | 1.4482 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in dimethyl sulfoxideSoluble in water and sodium bicarbonate. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.40±0.10(Predicted) |
| Farbe | White to off-white |
| Merck | 14,957 |
| BRN | 5192406 |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
| InChIKey | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CC(O)=O)c1ccccc1OCCOc2ccccc2N(CC(O)=O)CC(O)=O |
| CAS Datenbank | 85233-19-8(CAS DataBase Reference) |
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29225090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
BAPTA is a highly selective calcium chelating reagent. Lipophilic diesters of the chelating agent 1,2-Bis(2 aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (BAPTA) are used for inhibition of proteolytic activities of certain metalloproteinases, calpain and TACE.