(3S,4R)-Tofacitinib

• CAT Number: I000386
• CAS Number: 1092578-48-7
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.37
• Purity: ≥95%
• Synonyms: 3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
• Target: JAK
• Solubility: DMSO
• Storage: Store at -20C
• IC50: 1 nM [1]
• InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1
• InChIKey: UJLAWZDWDVHWOW-DGCLKSJQSA-N
• SMILES: C[C@@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

(3S,4R)-Tofacitinib(CAT: I000386) is a stereoisomer of Tofacitinib, a selective Janus kinase (JAK) inhibitor primarily targeting JAK1 and JAK3. This compound modulates the JAK-STAT signaling pathway, which is critical in cytokine-mediated immune responses. (3S,4R)-Tofacitinib is widely used in research to study the role of stereochemistry in JAK inhibition and its effects on immune regulation. It provides insights into the structure-activity relationship (SAR) of JAK inhibitors, advancing the understanding of their therapeutic potential in autoimmune disorders, such as rheumatoid arthritis and inflammatory bowel disease, and the development of next-generation immunomodulatory drugs.