N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide

CAS: 162358-09-0

Ref. TR-B400600

Información del producto

• Nombre: N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide
• Sinónimos: Acetamide, N-[1,1-bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]-, 2-Acetamido-2-acetoxymethyl-4-(4-octylphenyl)butyl acetate, Acetic acid 2-acetoxymethyl-2-acetylamino-4-(4-octylphenyl)butyl ester, Triacetylfingolimod, (N,O,O-Triacetyl)fingolimod
• Marca: TRC
• Descripción: Applications N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide is derived from Diethyl 2-Acetamidomalonate (D443130), which is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin (N888500) analogues as potential heat shock protein 90 inhibitors.References Gunaherath, G. M., et al.: Bioorg. Med. Chem., 21, 5118 (2013)

Propiedades químicas

• Peso molecular: 433.58
• Fórmula: C₂₅H₃₉NO₅
• Color/Forma: Neat
• InChI: InChI=1S/C25H39NO5/c1-5-6-7-8-9-10-11-23-12-14-24(15-13-23)16-17-25(26-20(2)27,18-30-21(3)28)19-31-22(4)29/h12-15H,5-11,16-19H2,1-4H3,(H,26,27)
• Clave InChI: InChIKey=GNDIBYIKXCMJGO-UHFFFAOYSA-N
• SMILES: CCCCCCCCc1ccc(CCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc1