Upadacitinib Impurity 166 CAS CATO-C4X-2405166
| CAS No. | CATO-C4X-2405166 |
| Molecular Formula | C6H4BrN3 |
| Molecular Weight | 198.02 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| 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 Upadacitinib Impurity 166.
As a process- or degradation-related impurity, Upadacitinib Impurity 166 (CAS CATO-C4X-2405166, C6H4BrN3) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Based on its molecular formula C6H4BrN3, Upadacitinib Impurity 166 contains a nitrile group, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 198.02 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
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 | C6H4BrN3 |
| Molecular Weight | 198.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Related Upadacitinib Standards
- Upadacitinib Impurity 46 (CAS 875781-43-4)
- Upadacitinib Impurity 53 (CAS 1046861-47-5)
- Upadacitinib Impurity 167 (CAS CATO-C4X-2405167)
- Upadacitinib Impurity 174 (CAS CATO-C4X-2405174)
- Upadacitinib Impurity 67 (CAS CATO-C4X-240567)
- Upadacitinib Impurity 222 (CAS CATO-C4X-2405222)
- Upadacitinib Impurity 164 (CAS CATO-C4X-2405164)
- Upadacitinib Impurity 54 (CAS 406-11-1)
Recommended Standards
- Ponatinib Impurity 39 (CAS 2702457-83-6)
- Ponatinib Impurity 36 (CAS CATO-C4X-226936)
- 2,5-Dichlorothiazole-4-carboxylic Acid (CAS 127426-30-6)
- 1-bromanyl-3-isocyanato-benzene 1-bromo-3-isocyanatobenzene 23138-55-8 A816584 (CAS 23138-55-8)
- Raloxifene Impurity 17 (CAS 84449-85-4)
- CAS 474659-00-2 (CAS 474659-00-2)
- Ibuprofen impurity 125 (CAS CATO-C4X-1082125)
- 4-Cyanopyridine-2-sulfonic acid (CAS 744987-72-2)
- 1,4-diazabicyclo[3.2.2]nonane;dihydrochloride (CAS 150208-70-1)
- (R)-2-(Methylamino)-2-phenylacetonitrile (CAS 1268854-23-4)
- 6-Chloro-n<sup>4</sup>-cyclopentylpyrimidine-2,4-diamine (CAS 1030739-38-8)
- Methyl 3-methoxy-5-methylthiophene-2-carboxylate (CAS 181063-59-2)
- 2-Bromo-5-ethoxybenzaldehyde (CAS 43192-32-1)
- Semaglutide impurity 107 (CAS CATO-C4X-2226107)
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