HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenanthridin-6(5H)-on
phenanthridin-6(5H)-one · PHENANTHRIDINONE · 6(5H)-Phenantridinone · PJ 97A · NSC 11021 · NSC 40943 · NSC 61083 · WD 99-004344
Identifikatoren & physikalische Daten
| CAS No. | 1015-89-0 |
|---|---|
| Summenformel | C13H9NO |
| Durchschnittliche Molmasse | 195,22 g/mol |
| Monoisotopische Masse | 195,06841391 g/mol |
| SMILES | O=c1[nH]c2ccccc2c2ccccc12 |
| InChIKey | RZFVLEJOHSLEFR-UHFFFAOYSA-N |
| PubChem CID | 1853 |
| ChEMBL | CHEMBL45245 |
| ChEBI | CHEBI:75292 |
| EC No. | 213-804-3 |
| DTXSID | DTXSID0074423 |
| Lokaler Name | Phenanthridin-6(5H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 263 |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 290-292 °C(lit.) |
| Siedepunkt | 435 °C |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMF: 1mg/mLDMF:PBS (pH 7.2) (1:5): 0.16mg/mLSoluble in DMSO (5 mg/ml). Insoluble in water. |
| pKa (Säurekonstante) | 13.27±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| BRN | 140641 |
| InChI | InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15) |
| InChIKey | RZFVLEJOHSLEFR-UHFFFAOYSA-N |
| SMILES | C1=C2C(NC(=O)C3=C2C=CC=C3)=CC=C1 |
| CAS Datenbank | 1015-89-0(CAS DataBase Reference) |
| NIST chemische Informationen | 6(5H)-phenanthridinone(1015-89-0) |
| EPA chemische Informationen | 6-Phenanthridinone (1015-89-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| RTECS-Nr. | SG0370000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Phenanthridone is a poly(ADP-ribose) polymerase (PARP) inhibitor with immunosuppressive effects. 6-Phenanthridone has been shown to inhibit concanavalin A-induced lymphocyte proliferation.