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【结 构 式】 
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【药物名称】 【化学名称】5-(4-Fluorophenyl)-2-[2-(methylsulfinyl)benzylsulfanyl]-4-(4-pyridyl)pyrimidine 【CA登记号】 【 分 子 式 】C23H18FN3OS2 【 分 子 量 】435.54581 |
【开发单位】Universität Tübingen (Originator) 【药理作用】Antiarthritic Drugs, TREATMENT OF MUSCULOSKELETAL & CONNECTIVE TISSUE DISEASES, IL-1beta Production Inhibitors, p38 Protein Kinase Inhibitors, TNF-alpha Production Inhibitors |
合成路线1
Condensation of 2-(4-fluorophenyl)-1-(4-pyridyl)ethanone (I) with dimethylformamide-dimethylacetal gives the enamino ketone (II). This is cyclized with thiourea (III) in the presence of NaOEt to produce the pyrimidine-2-thione (IV). Finally, S-alkylation of (IV) with 2-(methylsulfinyl)benzyl chloride (V) yields the target compound.
| 【1】 Wagner, G.K.; Laufer, S.A.; From imidazoles to pyrimidines: New inhibitors of cytokine release. J Med Chem 2002, 45, 13, 2733. |
| 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) | 37912 | 2-(4-fluorophenyl)-1-(4-pyridinyl)-1-ethanone | C13H10FNO | 详情 | 详情 | |
| (II) | 59069 | (Z)-3-(dimethylamino)-2-(4-fluorophenyl)-1-(4-pyridinyl)-2-propen-1-one | C16H15FN2O | 详情 | 详情 | |
| (III) | 10180 | Thiourea | 62-56-6 | CH4N2S | 详情 | 详情 |
| (IV) | 59070 | 5-(4-fluorophenyl)-4-(4-pyridinyl)-2(1H)-pyrimidinethione | C15H10FN3S | 详情 | 详情 | |
| (V) | 59071 | 2-(chloromethyl)phenyl methyl sulfoxide; [2-(chloromethyl)phenyl](methyl)oxo-lambda~4~-sulfane | C8H9ClOS | 详情 | 详情 |
Extended Information