For research use only. Not for therapeutic Use.
Tofacitinib Metabolite-1（Cat No.:I015216）is a primary oxidative metabolite of tofacitinib, a Janus kinase (JAK) inhibitor widely used in the treatment of rheumatoid arthritis, psoriatic arthritis, and ulcerative colitis. Generated through hepatic metabolism, this metabolite contributes to the drug’s pharmacokinetic and pharmacodynamic profile, though it is significantly less active against JAK kinases than the parent compound. It is frequently studied in drug metabolism, pharmacology, and toxicology research to assess bioavailability, clearance, and potential off-target effects. Tofacitinib Metabolite-1 is a key reference compound for ADME investigations.
| CAS Number | 1640971-51-2 |
| Synonyms | 3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
| Molecular Formula | C16H20N6O2 |
| Purity | ≥95% |
| IUPAC Name | 3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
| InChI | InChI=1S/C16H20N6O2/c1-10-4-6-22(14(24)3-5-17)8-12(10)21(2)16-11-7-13(23)20-15(11)18-9-19-16/h9-10,12H,3-4,6-8H2,1-2H3,(H,18,19,20,23)/t10-,12+/m1/s1 |
| InChIKey | FIQMDRYZOUHVEZ-PWSUYJOCSA-N |
| SMILES | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2CC(=O)N3)C(=O)CC#N |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
