Tofacitinib Impurity 53 CAS 479633-63-1
| CAS No. | 479633-63-1 |
| Molecular Formula | C13H10ClN3O2S |
| Molecular Weight | 307.76 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
As a process- or degradation-related impurity, Tofacitinib Impurity 53 (CAS 479633-63-1, C13H10ClN3O2S) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Tofacitinib Impurity 53 (C13H10ClN3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
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 | C13H10ClN3O2S |
| Molecular Weight | 307.76 g/mol |
| Purity | >95% |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Tofacitinib Standards
- Tofacitinib Nitroso Impurity 189 (CAS CATO-C4X-1079189)
- Tofacitinib Impurity 236 (CAS CATO-C4X-1079236)
- Tofacitinib Impurity 237 (CAS CATO-C4X-1079237)
- Tofacitinib Impurity 176 (CAS CATO-C4X-1079176)
- Tofacitinib Impurity 204 (CAS CATO-C4X-1079204)
- (Rac)-Tofacitinib (CAS 1259404-17-5)
- Tofacitinib Impurity 1 (CAS 1092578-46-5)
- Tofacitinib Impurity 2 (CAS 1092578-48-7)
Recommended Standards
- N-(7-Chloro-4-methylbenzo[d]thiazol-2-yl)-3-methylisoxazole-5-carboxamide (CAS 946286-99-3)
- 4-Chloro-2-(((3,4-dimethoxybenzyl)amino)methyl)phenol (CAS 1036577-24-8)
- 4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS 252723-16-3)
- 2-(((3-Chloro-4-methoxyphenyl)amino)methyl)-6-ethoxyphenol (CAS 1036618-22-0)
- Nemonoxacin Impurity 83 (CAS CATO-C4X-312883)
- Brimonidine Impurity 42 (CAS CATO-C4X-156642)
- Bilastine Impurity 65 (CAS CATO-C4X-225365)
- 2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)thiazole-4-carboxylic acid (CAS 955400-85-8)
- 3-Methoxy-4-(4-methyl-1-imidazolyl)aniline (CAS 958245-18-6)
- N1-(2,4-Dinitrophenyl)ethane-1,2-diamine (CAS 28767-75-1)
- 4-[(1,3-benzothiazol-2-yl)amino]butanoic acid (CAS 104344-78-7)
- 4-(2-Bromo-3,3,3-trifluoropropyl)morpholine (CAS 160921-16-4)
- Dolutegravir Impurity 28 (CAS 1646862-09-0)
- Staphylococcus Aureus Protein A (SpA)-Derived Peptide (H-2228.0005) (CAS 144979-26-0)
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