2-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide CAS 1058232-02-2
| CAS No. | 1058232-02-2 |
| Molecular Formula | C12H13N7O2S |
| Molecular Weight | 319.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide is closely related to a nitrogen-containing heterocyclic scaffold, 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-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 1058232-02-2) is a high-purity analytical reference standard with the molecular formula C12H13N7O2S and a molecular weight of 319.34 g/mol.
Structurally, 2-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (C12H13N7O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 319.34 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 2-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H13N7O2S |
| Molecular Weight | 319.34 g/mol |
| Purity | 97%+ |
| 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 |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Nitrogen Atoms | 7 |
| Sulfur Atoms | 1 |
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