1-[1-Oxo-3-(2-pyridyldithio)propoxy]pyrrolidin-2,5-dion

N-Succinimidyl 3-(2-pyridyldithio)propionate

HCID 100682CAS 68181-17-9

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Grundinformationen

Standard-SMILES: O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O
InChIKey: JWDFQMWEFLOOED-UHFFFAOYSA-N
Summenformel: C12H12N2O4S2
Durchschnittliche Molmasse: 312,4 g/mol
Monoisotopische Masse: 312,02384886

Überblick

heterobifunctional reagent

Namen und Bezeichner

Bevorzugter Name: N-Succinimidyl 3-(2-pyridyldithio)propionate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate
Lokaler Name: 1-[1-Oxo-3-(2-pyridyldithio)propoxy]pyrrolidin-2,5-dion
Englischer Name: SPDP
Summenformel: C12H12N2O4S2
Molmasse: 312.36

Namen und Synonyme

SPDP68181-17-9N-Succinimidyl 3-(2-pyridyldithio)propionate2OHG8V08NLNSC-3444851-(1-Oxo-3-(2-pyridyldithio)propoxy)pyrrolidine-2,5-dione2,5-Pyrrolidinedione, 1-(1-oxo-3-(2-pyridinyldithio)propoxy)-DTXSID60218366N-SUCCINIMIDYL 3-[2-PYRIDYLDITHIO]PROPIONATESIPDTPRefChem:164199DTXCID80140857

Weitere Namen anzeigen

SUCCINIMIDYL 3-(2-PYRIDYLDITHIO)PROPIONATE2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfaneyl)propanoatePDPH,SPDPSPDP (SPDP Crosslinker)3-(2-PYRIDYLDITHIO)-PROPIONIC ACID-OSU3-(Pyridin-2-yldisulfanyl)-propionic acid-OS

N-succinilimidyl 3-(2-pyridylthio)propionate269-034-33-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide esterSPDP NHS ester2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)propanoateSPDP Crosslinker3-(2-Pyridyldithio)propionic Acid N-Succinimidyl EsterMFCD00009636

Datenbank-Bezeichner

CAS: 68181-17-9
PubChem CID: 100682
DTXSID: DTXSID60218366
UNII: 2OHG8V08NL
EC Number: 269-034-3
Nikkaji: J317.385B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 127 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 7
Schwere Atome: 20
Formalladung: 0
Komplexität: 376

Physikochemische Eigenschaften

Schmelzpunkt: 84 · 84-86 °C(lit.)
Siedepunkt: 465.9 · 465.9±55.0 °C(Predicted)
Dichte: 1.48 · 1.48±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
Löslichkeit: 50 mg/mL · acetone: 50 mg/mL
Aggregatzustand: powder
pka: 1.76 · 1.76±0.19(Predicted)
Farbe: White to Light Yellow
BRN: 1548137 · 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 · 68181-17-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information2,5-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 CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 1-10
wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.

Anwendungen

Verwenden3-(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.