2-((5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide CAS 335397-59-6
| CAS No. | 335397-59-6 |
| Molecular Formula | C22H25N5O4S3 |
| Molecular Weight | 519.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide (CAS 335397-59-6), molecular formula C22H25N5O4S3 and molecular weight 519.66 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-((5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 519.66 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C22H25N5O4S3 |
| Molecular Weight | 519.66 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 3 |
Related Dimethylpyrimidin Standards
- 2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(5-(3-((1-(2-methoxyethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl)thiazol-2-yl)acetamide (CAS 1862238-01-4)
- N-(4,6-Dimethylpyrimidin-2-yl)-4-(2-(2-phenyl-1H-indol-3-yl)hydrazinyl)benzenesulfonamide (CAS 88152-01-6)
- (4,6-Dimethylpyrimidin-5-yl)(4-((S)-4-((1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone (CAS 869769-98-2)
- 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate (CAS 877636-68-5)
- N-(2,6-dimethylpyrimidin-4-yl)-4-(((3-hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)benzenesulfonamide (CAS 1024128-19-5)
- Ethyl 2-(2-(2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)acetamido)thiazol-4-yl)acetate (CAS 1226445-31-3)
- 2-(2-((4,6-Dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-1-(4-(furan-2-carbonyl)piperazin-1-yl)ethan-1-one (CAS 1226428-66-5)
- 2-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)benzoic acid (CAS 94134-30-2)
Recommended Standards
- 1-Linoleoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine (CAS 22252-07-9)
- N-(4-Acetylphenyl)-2-((4-(4-(tert-butyl)phenyl)-3-cyano-6-phenylpyridin-2-yl)thio)acetamide (CAS 332128-22-0)
- Lecithin Impurity 5 (CAS 1934266-33-7)
- Benzyl((S)-1-(((S)-1-(((S)-1-(1,3-dioxolan-2-yl)-3-methylbutyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate (CAS 1415548-00-3)
- 350-92-5 4-chloranyl-3-[chloranyl-bis(fluoranyl)methyl]-4,4-bis(fluoranyl)-1-(furan-2-yl)-3-oxidanyl-butan-1-one 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-(2-furanyl)-3-hydroxy-1-butanone A822529 (CAS 350-92-5)
- 1-(3-Chloro-4-fluorophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one (CAS 898750-88-4)
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- Osimertinib Impurity 80 (CAS CATO-C4X-204580)
- N-(7-fluoro-5-methyl-1-oxo-2,3-dihydro-1H-inden-4-yl)-3,3-dimethylbutanamide (CAS CATO-CIM-105408)
- 7-(Morpholin-4-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CAS 241488-26-6)
- (4S)-4,5-Bis-[2-((RS)-1-ethoxy-ethylsulfanyl)-acetamido]-pentanoic acid-2,3,5,6-tetrafluoro-phenyl ester (CAS 125488-70-2)
- (2-Bromo-5-(difluoromethyl)-4-methoxypyridin-3-yl)methanol (CAS 1805351-70-5)
- Valosin Peptide (VQY), porcine (CAS 99510-37-9)
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