2-((tert-Butoxycarbonyl)amino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl Acetate

CAS: 1644556-12-6

Ref. TR-B943170

Product Information

• Name: 2-((tert-Butoxycarbonyl)amino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl Acetate
• Synonyms: [2-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-octylphenyl)butyl] acetate
• Brand: TRC
• Description: Applications 2-((tert-bButoxycarbonyl)amino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl Acetate is the intermediate in the synthesis of Mono-O-acetyl Fingolimod TFA (F524600), which is an impurity of Fingolimod (F805000, HCl salt) which is a novel immune modulator that prolongs allograft transplant survival in numberour models by inhibiting lymphocyte emigration from lymphoid organs.References Brinkmann, V., et al.: Transplantation, 72, 764 (2001). Brinkmann, et al.: J. Biol. Chem., 277, 24, 21453 (2002). Mtaloubian, M., et al.: Nature, 427, 355 (2004)

Chemical properties

• Molecular weight: 449.623
• Formula: C₂₆H₄₃NO₅
• Color/Form: Neat
• InChI: InChI=1S/C26H43NO5/c1-6-7-8-9-10-11-12-22-13-15-23(16-14-22)17-18-26(19-28,20-31-21(2)29)27-24(30)32-25(3,4)5/h13-16,28H,6-12,17-20H2,1-5H3,(H,27,30)
• InChI key: InChIKey=NWOXCGCDMOUENH-UHFFFAOYSA-N
• SMILES: CCCCCCCCc1ccc(CCC(CO)(COC(C)=O)NC(=O)OC(C)(C)C)cc1