2-((6-Acetyl-3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(3-cyanophenyl)acetamide CAS 664999-42-2
| CAS No. | 664999-42-2 |
| Molecular Formula | C21H16F3N5O2S |
| Molecular Weight | 459.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((6-Acetyl-3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(3-cyanophenyl)acetamide.
CATO supplies 2-((6-Acetyl-3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(3-cyanophenyl)acetamide (CAS 664999-42-2), a certified reference material (molecular formula C21H16F3N5O2S, MW 459.44 g/mol) for analytical method development and quality control.
The molecular framework of 2-((6-Acetyl-3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(3-cyanophenyl)acetamide (C21H16F3N5O2S) is characterized by a steroid core, an amide group, a sulfone 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 | C21H16F3N5O2S |
| Molecular Weight | 459.44 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
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