2-Descyano-2-ethyl Formyl-tofacitinib

CAS: 1675248-18-6

Ref. TR-D221590

Product Information

• Name: 2-Descyano-2-ethyl Formyl-tofacitinib
• Synonyms: Ethyl 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
• Brand: TRC
• Description: Applications 2-Descyano-2-ethyl Formyl-tofacitinib is an impurity compound of Tofacitinib(C781351). Tofacitinib is a Janus kinase inhibitor for the treatment of rheumatoid arthritis.References Sheiner, L., et al.: Clin. Pharmacol. Ther., 25, 358 (1979), Dayneka, N., et al.: J. Pharmacokin. Biopharm., 21, 457 (1993), Changelian, P., et al.: Science, 302, 875 (2003), Lee, H., et al.: Clin. Pharmacol. Ther., 73, 348 (2003), Hutmacher, M., et al.: J. Clin. Pharmacol., 47, 238 (2007),

Chemical properties

• Molecular weight: 359.423
• Formula: C₁₈H₂₅N₅O₃
• Color/Form: Neat
• InChI: InChI=1S/C18H25N5O3/c1-4-26-16(25)9-15(24)23-8-6-12(2)14(10-23)22(3)18-13-5-7-19-17(13)20-11-21-18/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,19,20,21)/t12-,14+/m1/s1
• InChI key: InChIKey=NLQJYLLAHBDQCX-OCCSQVGLSA-N
• SMILES: CCOC(=O)CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1