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【结 构 式】 
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【药物名称】Tetrabenazine;Xenazine;Nitoman 【化学名称】(SS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido [2,1-a]-isoquinolin-2-one 【CA登记号】58-46-8 【 分 子 式 】C19H27NO3 【 分 子 量 】317.42 |
【开发单位】Prestwick 【药理作用】the treatment of chorea associated with Huntington's disease |
合成路线1
| 【1】 Boldt KG, Biggers MS, Phifer SS, et al.2009.Synthesis of (+)- and (-)-tetrabenazine from the resolution of α-dihydrotetrabenazine. Synthetic Commun,39, 3574～3585. |
| 【2】 Gant TG, Shahbaz M.2010.Benzoquinoline inhibitors of vesicular monoamine transporter 2.WO 2010/044981 A2. |
| 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) | 47677 | 2-Methyl-5-Hexanone; 5-Methyl-2-hexanone; 5-Methyl-2-oxohexane; iso-Amyl methyl ketone; Isopentyl methyl ketone; Methyl isoamyl ketone | 110-12-3 | C7H14O | 详情 | 详情 |
| (II) | 67440 | 3-((dimethylamino)methyl)-5-methylhexan-2-one | 91342-74-4 | C10H21NO | 详情 | 详情 |
| (III) | 67441 | 2-acetyl-N,N,N,4-tetramethylpentan-1-aminium iodide | C11H24INO | 详情 | 详情 | |
| (IV) | 10098 | 2-(3,4-Dimethoxyphenyl)-1-ethanamine; 3,4-Dimethoxyphenethylamine; 2-(3,4-Dimethoxyphenyl)ethylamine | 120-20-7 | C10H15NO2 | 详情 | 详情 |
| (V) | 67442 | 6,7-dimethoxy-3,4-dihydroisoquinoline | 3382-18-1 | C11H13NO2 | 详情 | 详情 |
| (VII) | 67443 | (2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol | C19H29NO3 | 详情 | 详情 |
合成路线2
| 【1】 Amarasinghe KKD, Rishel MJ, Dinn SR, et al.2009.Fluorinated dihydrotetrabenazine ether imaging agents and probes. US 2009/0110636 A1. |
| 【2】 Rishel MJ, Amarasinghe KKD, Dinn SR, et al.2009.Asymmetric synthesis of tetrabenazine and dihydrotertabenazine, 74: 4001～4004. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (II) | 67445 | (S)-diisopropyl 2-(2-(tert-butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)malonate | C25H37NO8 | 详情 | 详情 | |
| (I) | 67442 | 6,7-dimethoxy-3,4-dihydroisoquinoline | 3382-18-1 | C11H13NO2 | 详情 | 详情 |
| (III) | 67446 | （S)-tert-butyl 1-(2-isopropoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate | C21H31NO6 | 详情 | 详情 | |
| (IV) | 67447 | (S)-tert-butyl 6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 5 C6H11I 2-iodo-4-methylpent-1-ene | C18H25NO5 | 详情 | 详情 | |
| (V) | 67448 | 2-iodo-4-methylpent-1-ene | C6H11I | 详情 | 详情 | |
| (VI) | 67449 | (S)-tert-butyl 6,7-dimethoxy-1-(5-methyl-3-methylene-2-oxohexyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate | C24H35NO5 | 详情 | 详情 |
Extended Information