4-Chloro-7-toluenesulfonyl-7H-pyrrolo[2,3-D]pyrimidine Cas：479633-63-1
Pharmaceutical Materials 2025-03-02
4-Chloro-7-toluenesulfonyl-7H-pyrrolo[2,3-D]pyrimidine (CAS No. 479633-63-1) is a compound with the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. It is primarily utilized as a pharmaceutical intermediate in the synthesis of selective Janus kinase 3 inhibitors (JAK3) and immunosuppressive drugs, such as tofacitinib. The compound’s structure features a substituted pyrrole ring and a toluene sulfonyl group, which may confer unique chemical properties and reactivity.
In drug development, this intermediate may undergo multi-step organic synthesis reactions, such as substitution and condensation, to introduce various pharmacophoric groups, thereby generating drug candidates with therapeutic potential. Although direct pharmacological data on this compound are currently limited, its role as a pharmaceutical intermediate suggests that the final product may possess immunosuppressive activity, particularly for the treatment of inflammatory diseases. Research on this compound in the fields of chemical synthesis and drug discovery continues, highlighting its potential applications in the pharmaceutical industry. Additionally, it is used as an impurity control in biochemical studies and for drug declaration testing.
| Property | Details |
|---|---|
| CAS Number | 479633-63-1 |
| Molecular Formula | C13H10ClN3O2S |
| Molecular Weight | 307.76 g/mol |
| Appearance | White to orange to green powder or crystals |
| Purity | ≥98% |
| Application | Pharmaceutical intermediate, used in the synthesis of selective Janus kinase 3 inhibitors (JAK3) and immunosuppressive drugs, such as tofacitinib; impurity control in biochemical studies; drug declaration testing |
| Structure Features | Substituted pyrrole ring, toluene sulfonyl group |
| Synthesis | Multi-step organic synthesis reactions, such as substitution, condensation, etc. Involves reaction of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine with p-toluenesulfonyl chloride under specific conditions |
| Pharmacological Activity | Data currently limited, but the final product may have immunosuppressive activity, particularly for the treatment of inflammatory diseases |
| Research Status | Studied in chemical synthesis and drug discovery, with potential applications in the pharmaceutical industry |
| Physical Properties | Melting Point: 145.0 to 149.0 °C, Boiling Point: 505.3±60.0 °C, Density: 1.49 g/cm³, Solubility: Slightly soluble in chloroform and DMSO, pKa: 1.73±0.30 |
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