1-(3-Aminobenzo[d]isoxazol-5-yl)-N-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide hydrochloride CAS 405940-76-3
| CAS No. | 405940-76-3 |
| Molecular Formula | C24H20F4N8O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3-Aminobenzo[d]isoxazol-5-yl)-N-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide hydrochloride (CAS 405940-76-3), molecular formula C24H20F4N8O2HCl and molecular weight 564.93 g/mol, is a CATO reference standard with documented purity and traceability.
1-(3-Aminobenzo[d]isoxazol-5-yl)-N-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide hydrochloride (C24H20F4N8O2HCl) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C24H20F4N8O2 HCl |
| Molecular Weight | 564.93 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 8 |
Related Aminobenzo Standards
- 2-Aminobenzo[d]thiazol-4-ol hydrobromide (CAS 1000013-64-8)
- Methyl 2-aminobenzo[d]oxazole-4-carboxylate (CAS 1007112-51-7)
- Methyl 5-aminobenzo[d]oxazole-2-carboxylate (CAS 1035093-77-6)
- 3-(2-Aminobenzo[d]thiazol-6-yl)propanoic acid hydrobromide (CAS 1052543-53-9)
- 2-Aminobenzo[d]thiazole-5-carbonitrile (CAS 105314-08-7)
- (2-Aminobenzo[d]thiazol-6-yl)methanol (CAS 106429-07-6)
- 5-(2-Aminobenzo[d]thiazol-6-yl)imidazolidine-2,4-dione (CAS 106429-09-8)
- (2-Aminobenzo[d]thiazol-6-yl)(pyrrolidin-1-yl)methanone (CAS 1071360-23-0)
Recommended Standards
- 5-Iodo-3-((trifluoromethyl)thio)pyridin-2-amine (CAS 2386860-18-8)
- tert-butyl 3-Oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS 1014114-59-0)
- 4-(3-Chlorophenyl)-5-(methylsulfonyl)thiazol-2-amine (CAS 1710834-24-4)
- 2-(2-Bromo-4-chlorophenoxy)benzaldehyde (CAS 1021242-85-2)
- (1S,3R,6S)-6-((R,E)-3-Hydroxybut-1-en-1-yl)-6-methoxy-1,5,5-trimethylcyclohexane-1,3-diol (CAS 956869-95-7)
- 2-Fluoro-4-(propylsulfonamido)benzenesulfonamide (CAS 1152501-12-6)
- [4-methyl-2-(propan-2-yl)-1,3-oxazol-5-yl]methanamine dihydrochloride (CAS 1909308-69-5)
- 3-Benzyldihydro-2H-pyran-4(3H)-one (CAS 693249-64-8)
- 5-{[(4-methylphenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-2-one (CAS 478046-22-9)
- Semaglutide impurity 196 (CAS CATO-C4X-2226196)
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