Assignment of the Raman‐active modes of the antitumor agent azathioprine by normal‐mode calculations

Abstract

Azathioprine is a slow-release prodrug of 6-mercaptopurine and an established clinical agent for the treatment of human leukemias and other immunologically mediated diseases. The Raman spectra (1600-600 cm −1 ) of solid and solution azathiopurine were recorded and are presented along with results from normal-mode calculations. The band assignments were derived from semi-empirical and ab initio molecular orbital calculations. The ab initio calculations were performed with the restricted Hartree-Fock method and the semi-empirical methods utilized the AM1, PM3 and MNDO-d methods.

Photodegradation of Azathioprine in the Presence of Sodium Thiosulfate

“…El-Hinnawi et al at 330–360, 430–450, 530, 670, 1000–1010 and 1125–1140 cm −1 , which were associated with the vibrational modes of free S 2 O 3 2− , symmetric S-S stretching, anti-symmetric S-O bending, symmetric S-O bending, symmetric S-O stretching and anti-symmetric S-O in free S 2 O 3 2− [ 28 ]. The Raman lines of AZA are shown in Table 2 [ 14 , 29 , 30 ].…”

Adsorption of 6‐mercaptopurine and 6‐mercaptopurine‐ribosideon silver colloid: A pH‐dependent surface‐enhanced Raman spectroscopy and density functional theory study. II. 6‐mercaptopurine‐riboside

“…[41][42][43][44][45][46] The SERS study of azathioprine, 26,47 a mercaptopurine derivative also used in chemotherapy, with a nitroimidazole substituent at FIGURE 6 SERS spectra of 6MP recorded at different concentrations under neutral conditions. the S atom, on a silver electrode evidenced an attachment via the N3 atom of the purine ring on the metal surface.…”

“…[20][21][22][23][24][25][26] However, the adsorption of 6MP is rather poor and therefore the intravenous (i.v.) administration of its riboside derivative (6MPR) has been reevaluated.…”