HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
YX · CS-1859 · SF 1101 · LY240092 · LY 294002 · NSC 697286 · LY294002HCl · LY294002/PI3K
Identifikatoren & physikalische Daten
| CAS No. | 154447-36-6 |
|---|---|
| Summenformel | C19H17NO3 |
| Durchschnittliche Molmasse | 307,3 g/mol |
| Monoisotopische Masse | 307,1208434 g/mol |
| SMILES | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 |
| InChIKey | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
| PubChem CID | 3973 |
| ChEMBL | CHEMBL98350 |
| ChEBI | CHEBI:65329 |
| EC No. | 960-639-4 |
| DTXSID | DTXSID6042650 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 463 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 2.9 |
| Schmelzpunkt | 183-185℃ |
| Siedepunkt | 494.6±45.0 °C(Predicted) |
| Dichte | 1.266 |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO: >5 mg/mLSoluble in DMSO at 5mg/ml. Insoluble in water |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 0.55±0.20(Predicted) |
| Farbe | white to off-white |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 4 months. |
| InChI | InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| InChIKey | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
| SMILES | C1(N2CCOCC2)OC2=C(C3=CC=CC=C3)C=CC=C2C(=O)C=1 |
| CAS Datenbank | 154447-36-6 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| Sicherheitshinweise (S) | 24-25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
LY294002 is a selective phosphatidylinositol 3-kinase (PI3K) inhibitor with a 2.7-fold greater potency than quercetin. LY294002 inhibits purified PI3K with an IC50 of 1.4 μM.
Verwenden
A potent blocker of PI 3-kinase/Akt signaling.