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【结 构 式】 
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【分子编号】36601 【品名】N-[(1S)-1-([[(1S)-2-[((1S)-2-(1,3-benzothiazol-2-yl)-1-[[(3S)-1-(2,4-dimethoxybenzyl)-2-oxopyrrolidinyl]methyl]-2-hydroxyethyl)amino]-1-(4-fluorobenzyl)-2-oxoethyl]amino]carbonyl)-2-methylpropyl]-5-methyl-3-isoxazolecarboxamide 【CA登记号】 |
【 分 子 式 】C42H47FN6O8S 【 分 子 量 】814.9352232 【元素组成】C 61.9% H 5.81% F 2.33% N 10.31% O 15.71% S 3.93% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(XII)The coupling of (X) with 5-methylisoxazole-3-carbonyl chloride (XI), yielded amide (XII). The alcohol group of (XII) was then oxidized to ketone (XIV) employing Dess-Martin periodinane (XIII). Finally, the 2,4-dimethoxybenzyl group (DMB) of (XIV) was cleaved by treatment with DDQ in hot acetonitrile.
| 【1】 Zhou, R.; Dragovich, P.S.; Webber, S.E.; et al.; Structure-based design of ketone-containing, tripeptidyl human rhinovirus 3C protease inhibitors. Bioorg Med Chem Lett 2000, 10, 1, 45. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (X) | 36600 | (2S)-2-amino-N-[(1S)-2-[((1S)-2-(1,3-benzothiazol-2-yl)-1-[[(3S)-1-(2,4-dimethoxybenzyl)-2-oxopyrrolidinyl]methyl]-2-hydroxyethyl)amino]-1-(4-fluorobenzyl)-2-oxoethyl]-3-methylbutanamide | C37H44FN5O6S | 详情 | 详情 | |
| (XI) | 32107 | 5-methyl-3-isoxazolecarbonyl chloride | C5H4ClNO2 | 详情 | 详情 | |
| (XII) | 36601 | N-[(1S)-1-([[(1S)-2-[((1S)-2-(1,3-benzothiazol-2-yl)-1-[[(3S)-1-(2,4-dimethoxybenzyl)-2-oxopyrrolidinyl]methyl]-2-hydroxyethyl)amino]-1-(4-fluorobenzyl)-2-oxoethyl]amino]carbonyl)-2-methylpropyl]-5-methyl-3-isoxazolecarboxamide | C42H47FN6O8S | 详情 | 详情 | |
| (XIII) | 18845 | Dess-Martin periodinane; 1,1,1-Triacetoxy-1,2-benziodoxol-3(1H)-one | 87413-09-0 | C13H13IO8 | 详情 | 详情 |
| (XIV) | 36602 | N-[(1S)-1-([[(1S)-2-[((1S)-2-(1,3-benzothiazol-2-yl)-1-[[(3S)-1-(2,4-dimethoxybenzyl)-2-oxopyrrolidinyl]methyl]-2-oxoethyl)amino]-1-(4-fluorobenzyl)-2-oxoethyl]amino]carbonyl)-2-methylpropyl]-5-methyl-3-isoxazolecarboxamide | C42H45FN6O8S | 详情 | 详情 |
Extended Information