Cgp-74588
N-DesmethyL · Imatinib Impurity F · Imatinib EP Impurity C · CGP-74588 · STI 509-00 · Norimatinib · no mesylate · Imatinib Imp.F
Identifikatoren & physikalische Daten
| CAS No. | 404844-02-6 |
|---|---|
| Summenformel | C28H29N7O |
| Durchschnittliche Molmasse | 479,6 g/mol |
| Monoisotopische Masse | 479,24335855 g/mol |
| SMILES | Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChIKey | BQQYXPHRXIZMDM-UHFFFAOYSA-N |
| PubChem CID | 9869737 |
| ChEMBL | CHEMBL2386594 |
| ChEBI | CHEBI:169508 |
| EC No. | 112-387-4 |
| DTXSID | DTXSID80193500 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 679 |
| Schmelzpunkt | 99-101°C |
| Dichte | 1.268±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMF: 16 mg/mlDMF:PBS (pH 7.2) (1:4): 0.20 mg/mlDMSO: 14 mg/mlEthanol: 0.20 mg/ml |
| Aggregatzustand | A lyophilized solid |
| pKa (Säurekonstante) | 13.28±0.70(Predicted) |
| Farbe | Light yellow to yellow |
| Biologische Quelle | synthetic |
| InChIKey | BQQYXPHRXIZMDM-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)(=O)C1=CC=C(CN2CCNCC2)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P260, P263, P264, P270, P280, P318, 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. |
|---|---|
| Hazard Classes and Categories | Muta. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29339900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Carc. 2Lact.Muta. 2Repr. 1B |
Anwendungen & Verwendung
Beschreibung
N-desmethyl Imatinib is a major active metabolite of imatinib , an anticancer agent that selectively targets tyrosine kinases, including Bcr-ABL, platelet-derived growth factor receptor (PDGFR), and KIT. N-desmethyl Imatinib is formed when imatinib undergoes demethylation by the cytochrome P450 (CYP) isomer CYP3A4. N-desmethyl Imatinib has the same in vitro potency at Bcr-ABL kinase as imatinib (IC50 = 38 nM for both) but is only present in plasma at 10-15% of the levels of imatinib, indicating the majority of the anticancer activity can be attributed to the parent compound.
Verwenden
N-Desmethyl Imatinib (Imatinib EP Impurity C) is a metabolite of Gleevec, a tyrosine kinase inhibitor which is highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL). It is a COVID19-related research product.