2-(5-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-3-(cyanomethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)pyridin-2-yl)-2-methylpropanenitrile CAS 1380593-78-1
| CAS No. | 1380593-78-1 |
| Molecular Formula | C27H19F3N8O |
| Molecular Weight | 528.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(5-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-3-(cyanomethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)pyridin-2-yl)-2-methylpropanenitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(5-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-3-(cyanomethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)pyridin-2-yl)-2-methylpropanenitrile (CAS 1380593-78-1) is a high-purity analytical reference standard with the molecular formula C27H19F3N8O and a molecular weight of 528.49 g/mol.
The molecular framework of 2-(5-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-3-(cyanomethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)pyridin-2-yl)-2-methylpropanenitrile (C27H19F3N8O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C27H19F3N8O |
| Molecular Weight | 528.49 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 8 |
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