N-Butyl 3-Oxopropanoate Tofacitinib

CAS: 2227199-31-5

Ref. TR-B357450

Produktinformation

• Name: N-Butyl 3-Oxopropanoate Tofacitinib
• Synonyme: Butyl 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
• Marke: TRC

Beschreibung

Applications N-Butyl 3-oxopropanoate Tofacitinib is an impurity of Tofacitinib(T528000) which is an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.
References Jiang, J., et. al.: J. med. Chem., 51, 8012 (2008)

Chemische Eigenschaften

• Molekulargewicht: 387.476
• Formel: C₂₀H₂₉N₅O₃
• Farbe/Form: Neat
• InChl: InChI=1S/C20H29N5O3/c1-4-5-10-28-18(27)11-17(26)25-9-7-14(2)16(12-25)24(3)20-15-6-8-21-19(15)22-13-23-20/h6,8,13-14,16H,4-5,7,9-12H2,1-3H3,(H,21,22,23)/t14-,16+/m1/s1
• InChI Key: InChIKey=IQFJFTIXSPNYQX-ZBFHGGJFSA-N
• SMILES: CCCCOC(=O)CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1