Interaction of Methimazole with I2: X-ray Crystal Structure of the Charge Transfer Complex Methimazole−I2. Implications for the Mechanism of Action of Methimazole-Based An

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• 作者：Francesco Isaia ; M. Carla Aragoni ; Massimiliano Arca ; Francesco Demartin ; Francesco A. Devillanova ; Giovanni Floris ; Alessandra Garau ; Michael B. Hursthouse ; Vito Lippolis ; Rosaria Medda ; Fabio Oppo
• 刊名：Journal of Medicinal Chemistry
• 出版年：2008
• 出版时间：July 10, 2008
• 年：2008
• 卷：51
• 期：13
• 页码：4050 - 4053
• 全文大小：99K
• 年卷期：v.51,no.13(July 10, 2008)
• ISSN：1520-4804

文摘

The antithyroid drug methimazole (MMI) reacts with molecular iodine to form, in a multistep process, 1-methylimidazole as final product. In this process, the charge transfer complex MMI−I₂ and the ionic disulfide [(C₄H₆N₂S–)₂]²⁺ (1, dication MMI disulfide) have been isolated and their X-ray crystal structures solved. Dication MMI disulfide perchlorate acts effectively both in reducing I₂ to I⁻ ions and in showing antioxidant properties in inactivating the enzyme lactoperoxidase compound I.