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【结 构 式】 
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【药物名称】Iobitridol, Xenetix 【化学名称】N,N'-Bis(2,3-dihydroxypropyl)-5-[3-hydroxy-2-(hydroxymethyl)propionamido]-2,4,6-triiodo-N,N'-dimethylisophthalamide 【CA登记号】136949-58-1 【 分 子 式 】C20H28I3N3O9 【 分 子 量 】835.17406 |
【开发单位】Guerbet (Originator), Mitsubishi Chemical (Licensee), Mitsubishi Pharma (Licensee) 【药理作用】Contrast Mediums, DIAGNOSTIC AGENTS |
合成路线1
Acylation of 5-amino-2,4,6-triiodoisophthaloyl chloride (I) with 2-isopropyl-1,3-dioxane-5-carbonyl chloride (II) provided the amido isophthaloyl chloride (III). Acid chloride (III) was then condensed with 3-(methylamino)-1,2-propanediol (IV) to furnish the triamide compound (V). The acetal protecting group was finally removed under acidic conditions.
| 【1】 Schaefer, M.; Dugast-Zrihen, M.; Guillemot, M.; Doucet, D.; Meyer, D. (Guerbet SA); Non-ionic iodinated cpds., procedure for their preparation and contrast agents containing them. EP 0437144; WO 9109836 . |
| 【2】 Meyer, D.; Doucet, D.; Guillemot, M.; Dugast-Zrihen, M.; Schaefer, M. (Guerbet SA); Iodinated non-ionic triiodobenzene cpds. and contrast media containing them. US 5043152 . |
| 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) | 31194 | 5-amino-2,4,6-triiodoisophthaloyl dichloride | 37441-29-5 | C8H2Cl2I3NO2 | 详情 | 详情 |
| (II) | 59590 | 2-isopropyl-1,3-dioxane-5-carbonyl chloride | C8H13ClO3 | 详情 | 详情 | |
| (III) | 59591 | 2,4,6-triiodo-5-{[(2-isopropyl-1,3-dioxan-5-yl)carbonyl]amino}isophthaloyl dichloride | C16H14Cl2I3NO5 | 详情 | 详情 | |
| (IV) | 59592 | 2,3-Dihydroxy-N-methylpropylamine; N-Methyl-3-amino-1,2-propanediol; 3-Methylamino-1,2-propanediol | 40137-22-2 | C4H11NO2 | 详情 | 详情 |
| (V) | 59593 | N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-{[(2-isopropyl-1,3-dioxan-5-yl)carbonyl]amino}-N~1~,N~3~-dimethylisophthalamide | C24H34I3N3O9 | 详情 | 详情 |
Extended Information