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【结 构 式】 
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【药物名称】 【化学名称】3,9-Dibenzyl-1,5,7,11-tetrahydroxymethyl-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.0(2,7).0(4,11).0(5,10)]dodecane 【CA登记号】252671-48-0 【 分 子 式 】C40H42N2O4 【 分 子 量 】614.79174 |
【开发单位】Novartis (Originator) 【药理作用】AIDS Medicines, Anti-HIV Agents, ANTIINFECTIVE THERAPY, HIV Protease Inhibitors |
合成路线1
Cyclocondensation of a mixture of benzylamine (I), ethyl propiolate (II) and benzaldehyde (III) in hot AcOH furnished dihydropyridine (IV). Photodimerization of this compound in a MeOH-THF solution gave rise to the cage dimer (V). Finally, reduction of the ester groups of (V) by means of LiAlH4 at low temperature produced the title tetraol compound.
| 【1】 Wiese, M.; Billich, A.; Hilgeroth, A.; Synthesis and biological evaluation of the first N-alkyl cage dimeric 4-aryl-1,4-dihydropyridines as novel nonpeptidic HIV-1 protease inhibitors. J Med Chem 1999, 42, 22, 4729. |
| 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) | 15147 | Benzylamine; Phenylmethanamine | 100-46-9 | C7H9N | 详情 | 详情 |
| (II) | 35333 | ethyl propiolate | 623-47-2 | C5H6O2 | 详情 | 详情 |
| (III) | 10498 | Benzaldehyde;Benzoic aldehyde;Phenylmethanal | 100-52-7 | C7H6O | 详情 | 详情 |
| (IV) | 40525 | diethyl 1-benzyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate | C24H25NO4 | 详情 | 详情 | |
| (V) | 40526 | C48H50N2O8 | 详情 | 详情 |
Extended Information