N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod

CAS: 2147726-86-9

Ref. TR-O293855

Product Information

• Name: N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod
• Synonyms: 2-((1-Hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)amino)-4-(4-octylphenyl)butanoic Acid
• Brand: TRC
• Description: Applications N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod, is an impurity of Fingolimod (F805000, HCl salt). Fingolimod is a novel immune modulator that prolongs allograft transplant survival in numerous 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: 581.87
• Formula: C₃₇H₅₉NO₄
• Color/Form: Neat
• InChI: InChI=1S/C37H59NO4/c1-3-5-7-9-11-13-15-31-17-21-33(22-18-31)25-26-35(36(41)42)38-37(29-39,30-40)28-27-34-23-19-32(20-24-34)16-14-12-10-8-6-4-2/h17-24,35,38-40H,3-16,25-30H2,1-2H3,(H,41,42)
• InChI key: InChIKey=QSUNTPPQZHQIDH-UHFFFAOYSA-N
• SMILES: CCCCCCCCc1ccc(CCC(NC(CO)(CO)CCc2ccc(CCCCCCCC)cc2)C(=O)O)cc1