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【结 构 式】 
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【药物名称】Iniparib;BSI-201 【化学名称】4-Iodo-3-nitrobenzamide 【CA登记号】160003-66-7 【 分 子 式 】C7H5IN2O3 【 分 子 量 】292.0307 |
【开发单位】Sanofi (FR) 【药理作用】Poly [ADP-Ribose] Polymerase 1 (PARP-1) Inhibitor;Oncolytic |
合成路线1
Iniparib can be prepared from 4-iodo-3-nitrobenzoic acid (I) by activation as the corresponding acid chloride (II) with SOCl2 in DMF, followed by quenching with concentrated ammonium hydroxide .
Alternatively, by reaction of 4-bromobenzonitrile (III) with KNO3 in the presence of H2SO4 to give 4-bromo-3-nitrobenzamide (IV) and finally Ni-catalyzed iodination using NaI, NiBr2 and Bu3P in NMP at 140 °C
| 【1】 Mendeleyev, J., Kun, E., Kirsten, E. (Octamer, Inc.). Novel aromatic and nitroso compounds and their metabolites useful as anti-viral and antitumor agents. WO 1994026730. |
| 【2】 Cant, A.A., Bhalla, R., Pimlott, S.L., Sutherland, A. Nickel-catalysed aromatic Finkelstein reaction of aryl and heteroaryl bromides. Chem Commun (London) 2012, 48(33): 3993-5. |
Extended Information