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【结 构 式】 
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【药物名称】Deferasirox, ICL-670A, CGP-72670, ICL-670 【化学名称】4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid 【CA登记号】201530-41-8 【 分 子 式 】C21H15N3O4 【 分 子 量 】373.3714 |
【开发单位】Novartis (Orphan Drug) 【药理作用】Antagonists to Metals, Specific Antidotes, TREATMENT OF POISONING, DRUG ABUSE & DEPENDENCY, Metal Chelators |
合成路线1
Cyclization of salicylamide (I) with salicyloyl chloride (II) by heating at 170 oC provides 2-(2-hydroxyphenyl)-benz[e][1,3]oxazin-4-one (III), which is finally cyclized with 4-hydrazinobenzoic acid (IV) in refluxing ethanol.
| 【1】 Lattmann, R.; Acklin, P. (Novartis AG); Substd. 3,5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators. EP 0914118; JP 2000507601; WO 9749395 . |
| 【2】 McIntyre, J.A., Castaner, J., Mealy, N.E., Bayes, M.; Deferasirox. Drugs Fut 2004, 29 (4): 331 |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 14652 | salicylamide | 65-45-2 | C7H7NO2 | 详情 | 详情 |
| (II) | 32668 | 2-hydroxybenzoyl chloride | C7H5ClO2 | 详情 | 详情 | |
| (III) | 49109 | 2-(2-hydroxyphenyl)-4H-1,3-benzoxazin-4-one | C14H9NO3 | 详情 | 详情 | |
| (IV) | 49110 | 4-Carboxyphenyl hydrazine; p-Hydrazinobenzoic acid; p-Carboxyphenyl hydrazine; 4-Hydrazinobenzoic acid | 619-67-0 | C7H8N2O2 | 详情 | 详情 |
Extended Information