For research use only. Not for therapeutic Use.
Tofacitinib metabolite-1 is a metabolite of Tofacitinib, a JAK inhibitor. Tofacitinib metabolite-1 can be used in the pharmacokinetics and metabolism studies of tofacitinib[1][2].
| Catalog Number | I015216 |
| 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% |
| 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 | CC1CCN(CC1N(C)C2=NC=NC3=C2CC(=O)N3)C(=O)CC#N |
| Reference | [1]. Martin E Dowty, et al. The Pharmacokinetics, Metabolism, and Clearance Mechanisms of Tofacitinib, a Janus Kinase Inhibitor, in Humans. Drug Metab Dispos. 2014 Apr;42(4):759-73. [2]. Matthias Gehringer, et al. Novel Hinge-Binding Motifs for Janus Kinase 3 Inhibitors: A Comprehensive Structure-Activity Relationship Study on Tofacitinib Bioisosteres. ChemMedChem. 2014 Nov;9(11):2516-27. |
