HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine
Ax 100 · CS-2551 · Nsc 53339 · 9-THF-Ade · SQ 22,536 · SQ 22536 · SQ-22536 · SQ22,536/Inhibitor
Identifikatoren & physikalische Daten
| CAS No. | 17318-31-9 |
|---|---|
| Summenformel | C9H11N5O |
| Durchschnittliche Molmasse | 205,22 g/mol |
| Monoisotopische Masse | 205,09635999 g/mol |
| SMILES | Nc1ncnc2c1ncn2C1CCCO1 |
| InChIKey | UKHMZCMKHPHFOT-UHFFFAOYSA-N |
| PubChem CID | 5270 |
| ChEMBL | CHEMBL64239 |
| ChEBI | CHEBI:90232 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 239 |
| Schmelzpunkt | 160-161℃ |
| Siedepunkt | 474.8±55.0 °C(Predicted) |
| Dichte | 1.70±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | H2O: 21 mg/mL |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.82±0.10(Predicted) |
| Farbe | white to off-white |
| InChI | InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12) |
| InChIKey | UKHMZCMKHPHFOT-UHFFFAOYSA-N |
| SMILES | N1C2C(=NC=NC=2N)N(C2CCCO2)C=1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2934.99.9001 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
SQ 22,536 is an inhibitor of adenylyl cyclase with an IC50 value of 13 μM for inhibition of prostaglandin E1-stimulated increase in cAMP in intact platelets. It has been used to evaluate adenylyl cyclase activity during iloprost-induced vasorelaxation of isolated pulmonary veins or aorta in several research paradigms, inhibiting cAMP elevation at concentrations of 100-300 μM without effecting relaxation.
Verwenden
SQ 22,536 was used to study the role of adenylate cyclase in differentiation of PC12 cells and in gap junctional intercellular communication in breast cancer cells.