HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Prostaglandin H2
PGH2 · PGR2 · GPR142 · GPRg1b · ENDOPEROXIDE H2 · PROSTAGLANDIN H2 · PROSTAGLANDIN R2 · Prostaglandin?H2?(PGH2)
Identifikatoren & physikalische Daten
| CAS No. | 42935-17-1 |
|---|---|
| Summenformel | C20H32O5 |
| Durchschnittliche Molmasse | 352,5 g/mol |
| Monoisotopische Masse | 352,22497412 g/mol |
| SMILES | CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2 |
| InChIKey | YIBNHAJFJUQSRA-YNNPMVKQSA-N |
| PubChem CID | 445049 |
| ChEMBL | CHEMBL2074582 |
| ChEBI | CHEBI:15554 |
| DTXSID | DTXSID80903949 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 76 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 459 |
| Lipide | Fatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301] |
| Physical Description | Solid |
| Collision Cross Section | 188.8 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Calculation: Single FieldDataset: Oxylipins]202.63 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]190.2 Ų [M-H]- |
| Siedepunkt | 490.1±40.0 °C(Predicted) |
| Dichte | 1.129±0.06 g/cm3(Predicted) |
| Flammpunkt | -17 °C |
| Lagerbedingungen | −70°C |
| Löslichkeit | Ethanol: >100 mg/mlPBS pH 7.2: >2 mg/ml |
| Aggregatzustand | acetone solution |
| pKa (Säurekonstante) | 4.76±0.10(Predicted) |
| Farbe | Colorless to light yellow |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| UN-Transportnummer | UN 1090 3/PG 2 |
| R-Sätze (R) | 11-36-66-67 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 9-16-26 |
Anwendungen & Verwendung
Beschreibung
Prostaglandin H2 (PGH2) was first isolated from incubations of arachidonic acid with ovine seminal vesicle microsomes, and was described as a potent vasoconstrictor. PGH2 is the precursor for all 2-series PGs and thromboxanes (TXs), and is a TP receptor agonist which irreversibly aggregates human platelets at 50-100 ng/ml.
Verwenden
PGH2 (Prostaglandin H2) is a thromboxane A2 precursor and a platelet aggregator of vascular smooth muscle contraction.