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1-[1-Oxo-3-(2-pyridyldithio)propoxy]pyrrolidin-2,5-dion
SUCCINIMIDYL 3-(2-PYRIDYLDITHIO)PROPIONATE · 2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfaneyl)propanoate · SPDP · PDPH,SPDP · SPDP NHS ester · SPDP Crosslinker · SPDP (SPDP Crosslinker) · 3-(2-PYRIDYLDITHIO)-PROPIONIC ACID-OSU
![Molekülstruktur von 1-[1-Oxo-3-(2-pyridyldithio)propoxy]pyrrolidin-2,5-dion](/img/chemical/100682.png)
Identifikatoren & physikalische Daten
| CAS No. | 68181-17-9 |
|---|---|
| Summenformel | C12H12N2O4S2 |
| Durchschnittliche Molmasse | 312,4 g/mol |
| Monoisotopische Masse | 312,02384886 g/mol |
| SMILES | O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O |
| InChIKey | JWDFQMWEFLOOED-UHFFFAOYSA-N |
| PubChem CID | 100682 |
| EC No. | 269-034-3 |
| DTXSID | DTXSID60218366 |
| Lokaler Name | 1-[1-Oxo-3-(2-pyridyldithio)propoxy]pyrrolidin-2,5-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 127 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 376 |
| Schmelzpunkt | 84-86 °C(lit.) |
| Siedepunkt | 465.9±55.0 °C(Predicted) |
| Dichte | 1.48±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | acetone: 50 mg/mL |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 1.76±0.19(Predicted) |
| Farbe | White to Light Yellow |
| BRN | 1548137 |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | InChI=1S/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2 |
| InChIKey | JWDFQMWEFLOOED-UHFFFAOYSA-N |
| SMILES | C(ON1C(=O)CCC1=O)(=O)CCSSC1=NC=CC=C1 |
| CAS Datenbank | 68181-17-9(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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2,5-Pyrrolidinedione, 1-1-oxo-3-(2-pyridinyldithio)propoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 1-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester (SPDP) is useful for the preparation of enzyme immunoconjugates and hapten carrier molecule conjugates.It has been used for antibody conjugation and as a protein cross-linker.