4-(5-(3,5-Dimethylisoxazol-4-yl)benzo[b]thiophen-2-yl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine CAS 1138474-57-3
| CAS No. | 1138474-57-3 |
| Molecular Formula | C30H31N5O2S |
| Molecular Weight | 525.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(5-(3,5-Dimethylisoxazol-4-yl)benzo[b]thiophen-2-yl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine (CAS 1138474-57-3), molecular formula C30H31N5O2S and molecular weight 525.66 g/mol, is a CATO reference standard with documented purity and traceability.
4-(5-(3,5-Dimethylisoxazol-4-yl)benzo[b]thiophen-2-yl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine (C30H31N5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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).
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 | C30H31N5O2S |
| Molecular Weight | 525.66 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Dimethylisoxazol Standards
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- 4-(5-(3,5-Dimethylisoxazol-4-yl)thiophen-2-yl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine (CAS 1138472-98-6)
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Recommended Standards
- Atrasentan Impurity 162 (CAS 1063836-10-1)
- Ro 0437626 (CAS 134362-79-1)
- 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)
- Darunavir Impurity 37 (CAS 159005-61-5)
- 3,8-Di(thiophen-2-yl)-1,10-phenanthroline (CAS 753491-32-6)
- 5-({2-[3-(Trifluoromethyl)phenoxy]phenyl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 477857-04-8)
- {5-[(2-bromophenyl)methyl]-4h-1,2,4-triazol-3-yl}methanol (CAS 1443981-05-2)
- N-Acetyl-S-(2-cyanoethyl)-L-cysteine Ammonium Salt (CAS 168208-30-8)
- 3,5-Dibromo-1-[(3,4-dichlorophenyl)methyl]-1h-1,2,4-triazole (CAS 1240571-35-0)
- 2-Nitro-1-(pyridin-3-yl)ethan-1-ol (CAS 101861-30-7)
- 4-(Chloromethyl)-1-(3-fluorophenyl)-1H-1,2,3-triazole (CAS 1250722-79-2)
- (R)-2-aminotetradecanoic acid (CAS 129938-61-0)
- Gemcitabine Impurity 20 (CAS 116371-66-5)
- Neuropeptide Y (3-36) (porcine) trifluoroacetate salt (CAS 143863-88-1)
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