Insight into the Stability, Reactivity, Structural and Spectral Properties of the Anti, Syn-endo and Syn-exo Isomers of Bis(N-ethoxy-N-ethyl-dithiocarbamato)Nitrido Technetium-99m [99mTc-N(NOEt)2] Radiopharmaceutical

Nabati, Mehdi

doi:10.22034/chemm.2018.62758

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	Insight into the Stability, Reactivity, Structural and Spectral Properties of the Anti, Syn-endo and Syn-exo Isomers of Bis(N-ethoxy-N-ethyl-dithiocarbamato)Nitrido Technetium-99m [99mTc-N(NOEt)2] Radiopharmaceutical
Article 5, Volume 2, Issue 3. pp. 181-269, Summer 2018, Page 223-238 PDF (1.61 MB)
Document Type: Original Article
DOI: 10.22034/chemm.2018.62758
Author
Mehdi Nabati
Synthesis and Molecular Simulation Laboratory, Chemistry Department, Pars Isotope Company, P.O. Box: 1437663181, Tehran, Iran
Receive Date: 17 March 2018, Revise Date: 27 April 2018, Accept Date: 21 May 2018
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
Organic Chemistry


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