HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Lonidamin
dica · lonidamin · af1890 · LONIDAMINE · doridamina · Lonidnmine · LONIDAMING · AF-1890：DICA
Identifikatoren & physikalische Daten
| CAS No. | 50264-69-2 |
|---|---|
| Summenformel | C15H10Cl2N2O2 |
| Durchschnittliche Molmasse | 321,2 g/mol |
| Monoisotopische Masse | 320,01193292 g/mol |
| SMILES | O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 |
| InChIKey | WDRYRZXSPDWGEB-UHFFFAOYSA-N |
| PubChem CID | 39562 |
| ChEMBL | CHEMBL1257030 |
| ChEBI | CHEBI:50138 |
| EC No. | 256-510-0 |
| DTXSID | DTXSID5020782 |
| Lokaler Name | Lonidamin |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 396 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 207-209°C |
| Siedepunkt | 537.9±45.0 °C(Predicted) |
| Dichte | 1.4835 (rough estimate) |
| Brechungsindex | 1.6070 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Soluble in DMSO (up to 25 mg/ml). |
| pKa (Säurekonstante) | 3.00±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 1 month. |
| InChI | InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21) |
| InChIKey | WDRYRZXSPDWGEB-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=C(Cl)C=C2Cl)C2=C(C=CC=C2)C(C(O)=O)=N1 |
| CAS Datenbank | 50264-69-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | NK7886000 |
| R-Sätze (R) | 60-22-40 |
| Toxizität | LD50 in mice, rats (mg/kg): 900, 1700 orally435, 525 i.p. (Heywood) |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-22-36/37/39-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 4 OralCarc. 2Repr. 1B |
Anwendungen & Verwendung
Beschreibung
Lonidamine is an antineoplastic agent reportedly effective for the treatment of various cancers, including lung, breast, prostate and brain tumors. Its clinical effect appears to be associated with changes in cellular energy metabolism.
Verwenden
contraceptive, spermicidal