<i>N</i>-Acetyl-<i>S</i>-(2-amino-9-(4-fluorobenzyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-8-yl)-L-cysteine CAS 2241669-86-1
| CAS No. | 2241669-86-1 |
| Molecular Formula | C17H17FN6O4S |
| Molecular Weight | 420.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
<i>N</i>-Acetyl-<i>S</i>-(2-amino-9-(4-fluorobenzyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-8-yl)-L-cysteine (CAS 2241669-86-1), molecular formula C17H17FN6O4S and molecular weight 420.42 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, <i>N</i>-Acetyl-<i>S</i>-(2-amino-9-(4-fluorobenzyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-8-yl)-L-cysteine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 420.42 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | C17H17FN6O4S |
| Molecular Weight | 420.42 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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