Document Type: Original Article
Author
Synthesis and Molecular Simulation Laboratory, Chemistry Department, Pars Isotope Company, P.O. Box: 1437663181, Tehran, Iran
Abstract
(Ethoxy(ethyl)amino)methanedithiol is used in nuclear medicines as a ligand for the preparation of diagnostic radiopharmaceuticals. Among the available radionuclide tracers, technetium-99m (99mTc) is a good choice for myocardial perfusion imaging. Among the various cardiac perfusion imaging agents, bis(N-ethoxy-N-ethyl-dithiocarbamato)nitride technetium-99m radiopharmaceutical has a very high uptake. During the present study, the reactivity, stability, structural and spectral properties of anti, syn-endo and syn-exo isomers of bis(N-ethoxy-N-ethyl-dithiocarbamato)nitride technetium-99m radiopharmaceutical were discussed by density functional theory (DFT) computational method. It can be deduced from the theoretically applied computations that the anti- molecular structure is generally more stable than the syn-endo- and syn-exo- ones.
Graphical Abstract
Keywords
- Coronary Artery Disease
- Density functional theory
- Nuclear medicine
- Radiopharmaceutical
- 99mTc-N(NOEt)2
Main Subjects
[1]. Nabati M., Mahkam M. Iran Chem. Commun., 2014, 2:129
[2]. Fagret D., Ghezzi C., Vanzetto G. J. Nucl. Med., 2001, 42:1395
[3]. Hatada K., Riou L.M., Ruiz M., Yamamichi Y., Duatti A., Lima R.L., Goode A.R., Watson D.D., Beller G.A., Glover D.K. J. Nucl. Med., 2004, 45:2095
[4]. Nabati M. Iran. J. Org. Chem., 2017, 9:2045
[5]. Takahana K., Beller G.A., Ruiz M., Petruzella F.D., Watson D.D., Glover D.K. J. Nucl. Med., 2001, 42:1388
[6]. Nabati M., Salehi H. Iran. J. Org. Chem., 2017, 9:2013
[7]. Nabati M., Mofrad M.H., Kermanian M., Sarshar S. Iran. J. Org. Chem., 2017, 9:1981
[8]. Nabati M., Kermanian M., Maghsoudloo-Mahalli A., Sarshar S. Iran. J. Org. Chem., 2017, 9:2067
[9]. Hernandez-Valdes D., Blanco-Gonzalez A., Garcia-Fleitas A., Rodriguez-Riera Z., Meola G., Alberto R., Jauregui-Haza U. J. Mol. Graph. Model., 2017, 71:167
[10]. Lamb J., Holland J.P. J. Nucl. Med., 2018, 59:382
[11]. Dijk J.D.V., Jager P.L., Osch J.A.C.V., Dalen J.A.V. J. Nucl. Med., 2017, 58:518
[12]. Nabati M., Kermanian M., Mohammadnejad-Mehrabani H., Kafshboran H.R., Mehmannavaz M., Sarshar S. Chem. Method., 2018, 3:132
[13]. Nabati M. Chem. Method., 2017, 2:128
[14]. Hernandez-Valdes D., Alberto R., Jauregui-Haza U. RSC Adv., 2016, 6:107127
[15]. Nabati M. Iran. J. Org. Chem., 2018, 10:2291
[16]. Renaud J.M., Yip K., Guimond J., Trottier M., Pibarot P., Turcotte E., Maguire C., Lalonde L., Gulenchyn K., Farncombe T., Wisenberg G., Moody J., Lee B., Port S.C., Turkington T.G., Beanlands R.S., DeKemp R.A. J. Nucl. Med., 2017, 58:103
[17]. Nabati M., Maghsoudloo-Mahalli A., Mohammadnejad-Mehrabani H., Movahed-Tazehkand H. Iran. J. Org. Chem., 2018, 10:2281
[18]. Cittanti C., Uccelli L., Pasquali M., Boschi A., Flammia C., Bagatin E., Casali M., Stabin M.G., Feggi L., Giganti M., Duatti A. J. Nucl. Med., 2008, 49:1299
[19]. Nabati M., Maghsoudloo-Mahalli A. Iran. J. Org. Chem., 2017, 9:2239
[20]. Bolzati C., Cavazza-Ceccato M., Agostini S., Refosco F., Yamamichi Y., Tokunaga S., Carta D., Salvarese N., Bernardini D., Bandoli G. Bioconjugate Chem., 2010, 21:928
[21]. Nabati M., Mohammadnejad-Mehrabani H. Iran. J. Org. Chem., 2017, 9:2117
[22]. Maria L., Soares M., Santos I.C., Sousa V.R., Mora E., Marcalo J., Luzyanin K.V. Dalton Trans., 2016, 45:3778
[23]. Nabati M., Mahkam M. Org. Chem. Res., 2016, 2:70
[24]. Nabati M. Iran. J.Org. Chem., 2016, 8:1935
[25]. Nabati M., Mahkam M. J. Phys. Theor. Chem., 2015, 12:121
[26]. Nabati M. J. Phys. Theor. Chem., 2015, 12:325
[27]. Nabati M. J. Phys. Theor. Chem., 2017, 14:49
[28]. Nabati M., Mahkam M. J. Phys. Theor. Chem., 2015, 12:33
[29]. Nabati M., Mahkam M., Atani Y.G. J. Phys. Theor. Chem., 2016, 13:35
[30]. Nabati M. J. Phys. Theor. Chem., 2016, 13:133
[31]. Moura C., Gano L., Mendes F., Raposinho P.D., Abrantes A.M., Botelho M.F., Santos I., Paulo A. Eur. J. Med. Chem., 2012, 50:350
[32]. Nabati M., Mahkam M. Inorg. Chem. Res., 2016, 1:131
[33]. Nabati M., Mahkam M. Silicon, 2016, 8:461
[34]. Nabati M. Iran. J. Org. Chem., 2015, 7:1631
[35]. Qian W., Zhang W., Zong H., Gao G., Zhou Y., Zhang C. J. Mol. Model., 2016, 22:9
[36]. Nabati M. Iran. J. Org. Chem., 2015, 7:1669
[37]. Nabati M. Iran. J. Org. Chem., 2016, 8:1703
[38]. Nabati M., Hojjati M. Iran. J. Org. Chem., 2016, 8:1777
[39]. Nabati M. Iran. J. Org. Chem., 2016, 8:1803
[40]. Nabati M. Iran. J. Org. Chem., 2016, 8:1817
[41]. Maurer R.I., Blower P.J., Dilworth J.R., Reynolds C.A., Zheng Y., Mullen G.E.D. J. Med. Chem., 2002, 45:1420
[42]. Gancheff J., Kremer C., Kremer E., Ventura O.N. J. Mol. Struct: THEOCHEM, 2002, 580:107
[43]. Okoye C.M.I. J. Phys: Condens. Matter., 2003, 15:5945
[44]. Zhang Y., Sun Y., Xu X., Zhang X., Zhu H., Huang L., Qi Y., Shen Y. J. Med. Chem., 2010, 53:3262
[45]. Banerjee P., Sproules S., Weyhermuller T., George S.D., Wieghardt K. Inorg. Chem., 2009, 48:5829
[46]. Gong Y., Zhou M., Andrews L. Chem. Rev., 2009, 109:6765
[47]. Sproules S., Benedito F.L., Bill E., Weyhermuller T., George S.D., Wieghardt K. Inorg. Chem., 2009, 48:10926
