6-{[(4-bromophenyl)sulfanyl]methyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N,N-dimethylpyrimidin-4-amine CAS 478261-65-3
| CAS No. | 478261-65-3 |
| Molecular Formula | C21H22BrN3OS2 |
| Molecular Weight | 476.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 6-{[(4-bromophenyl)sulfanyl]methyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N,N-dimethylpyrimidin-4-amine (C21H22BrN3OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
6-{[(4-bromophenyl)sulfanyl]methyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N,N-dimethylpyrimidin-4-amine (CAS 478261-65-3), molecular formula C21H22BrN3OS2 and molecular weight 476.45 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H22BrN3OS2 |
| Molecular Weight | 476.45 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 2-(4-Benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-morpholino-5-(trifluoromethyl)phenyl)acetamide (CAS 1024715-91-0)
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- Delamanid Impurity 7 (CAS CATO-C4X-25147)
- Methyl 4-(3-(3-fluoro-4-methoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618074-85-4)
- 5-Bromo-1H-indol-7-amine (CAS 374537-99-2)
- 1-(b-D-Arabinofuranosyl)thymine (CAS 605-23-2)
- 4-Chloro-3-isopropylbenzeneboronic acid (CAS 2121511-26-8)
- 1-[(3,4-Difluorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (CAS 338977-73-4)
- N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide (CAS 391209-97-5)
- 2-fluoro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid (CAS 950108-08-4)
- (R)-2-(3-(Azetidin-3-ylidene)butan-2-yl)isoindoline-1,3-dione (CAS 2648903-91-5)
- 6-Bromo-2-chloro-3-methyl-1,8-naphthyridine (CAS 1260765-22-7)
- N-Hydroxy-3-methoxybenzimidoyl chloride (CAS 76272-16-7)
- Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 90880-35-6)
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