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【结 构 式】 
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【药物名称】 【化学名称】S-[2-[4-(1H-Indol-3-yl)butyryl]cyclopentyl]coenzyme A 【CA登记号】 【 分 子 式 】C38H53N8O17P3S 【 分 子 量 】1018.87491 |
【开发单位】Johns Hopkins University (Originator) 【药理作用】PSYCHOPHARMACOLOGIC DRUGS, Sleep Disorders, Treatment of |
合成路线1
3-Indolebutyric acid (I) was activated as the hydroxamate (II) by coupling with N,O-dimethylhydroxylamine in the presence of EDC and DMAP. Addition of cyclopentenylmagnesium bromide (III) to hydroxamate (II) furnished the unsaturated ketone (IV). Then, Michael addition of coenzyme A (V) to the unsaturated ketone (IV) in the presence of triethylammonium bicarbonate buffer provided the desired adduct.
| 【1】 Cole, P.A.; Kim, C.M.; Bisubstrate ketone analogues as serotonin N-acetyltransferase inhibitors. J Med Chem 2001, 44, 15, 2479. |
| 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) | 26532 | Indole-3-butyric acid; 4-(3-Indolyl)butyric acid; 4-(1H-Indol-3-yl)butyric acid | 133-32-4 | C12H13NO2 | 详情 | 详情 |
| (II) | 50653 | 4-(1H-indol-3-yl)-N-methoxy-N-methylbutanamide | C14H18N2O2 | 详情 | 详情 | |
| (III) | 50654 | bromo(1-cyclopenten-1-yl)magnesium | C5H7BrMg | 详情 | 详情 | |
| (IV) | 50655 | 1-(1-cyclopenten-1-yl)-4-(1H-indol-3-yl)-1-butanone | C17H19NO | 详情 | 详情 | |
| (V) | 50656 | C21H34N7O16P3S | 详情 | 详情 |