Fourier transform infrared spectra and molecular structure of 5-methoxytryptamine, N-acetyl-5-methoxytryptamine and N-phenylsulfonamide-5-methoxytryptamine.
5-Methoxytryptamine (5-MT) is a potent antioxidant and has radioprotective action. N-acetyl-5-methoxytryptamine (melatonin, NA-5-MT) is a free radical scavenger and antioxidant, which protects against oxidative damage due to a variety of toxicants. The infrared spectra of 5-MT, NA-5-MT and new synthesized N-phenylsulfonamide-5-methoxytryptamine (PS-5-MT) were investigated in the region between 4000 and 400 cm(-1). Vibrational assignments of the molecules have been made for fundamental modes on the basis of the group vibrational concept, infrared intensity and comparison with the assignments for related molecules. X-ray powder diffraction patterns of molecules were also recorded. In order to optimize the geometries of the molecules, molecular mechanic calculations (MM3) were performed. Conformational analysis of 5-MT, NA-5-MT and PS-5-MT was also established by the using PM3 method.
Bayari
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Department of Physics, Faculty of Education, Hacettepe University, Beytepe, 06532, Ankara, Turkey. bayari@hacettepe.edu.tr
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D008735:5-Methoxytryptamine / Q000031:analogs & derivatives / Q000737:chemistry*; D008550:Melatonin / Q000737:chemistry*; D008958:Models, Molecular; D011487:Protein Conformation; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013449:Sulfonamides / Q000737:chemistry*; D014961:X-Ray Diffraction
C479866:N-phenylsulfonamide-5-methoxytryptamine; D013449:Sulfonamides; D008735:5-Methoxytryptamine; D008550:Melatonin