For research use only. Not for therapeutic Use.
Upadacitinib-¹⁵N,d₂ (ABT-494-¹⁵N,d₂)(CAT: I040227) is a deuterium- and nitrogen-15-labeled form of Upadacitinib (HY-19569), a potent and selective Janus kinase 1 (JAK1) inhibitor with an IC₅₀ of 43 nM. It exhibits approximately 74-fold selectivity for JAK1 over JAK2 (IC₅₀ = 200 nM) in cytokine-driven cellular assays. This labeled compound is ideal for use as a tracer in pharmacokinetic, metabolic, and bioanalytical studies. Stable isotope labeling enhances the accuracy of quantification while preserving biological activity. Upadacitinib-¹⁵N,d₂ is widely used in autoimmune disorder research, including rheumatoid arthritis, by enabling precise evaluation of JAK1 inhibition and its downstream immunomodulatory effects.
| Synonyms | (3S,4R)-N-(1,1-dideuterio-2,2,2-trifluoroethyl)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-(15N)carboxamide |
| Molecular Formula | C17H17D2F3N515NO |
| Purity | ≥95% |
| IUPAC Name | (3S,4R)-N-(1,1-dideuterio-2,2,2-trifluoroethyl)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-(15N)carboxamide |
| InChI | InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1/i9D2,24+1 |
| InChIKey | WYQFJHHDOKWSHR-GEFHDYSMSA-N |
| SMILES | CCC1CN(CC1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
