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【结 构 式】 
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【药物名称】CT-4694 【化学名称】4-[6-[3(S)-Ethylpiperazinyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidine-2-amine 【CA登记号】207284-01-3 【 分 子 式 】C24H30N6O3 【 分 子 量 】450.5451 |
【开发单位】Celltech (Originator) 【药理作用】ONCOLYTIC DRUGS, Inhibitors of Signal Transduction Pathways, Tyrosine Kinase Inhibitors |
合成路线1
Reaction of 2-chloro-5-acetylpyridine (I) with refluxing dimethylformamide diethylacetal (II) afforded the enaminoketone (III). Subsequent condensation of (III) with 3,4,5-trimethoxyphenylguanidinium nitrate (IV) in the presence of NaOH gave rise to the pyridinyl pyrimidine (V). Finally, displacement of the halogen atom of (V) with (S)-2-ethylpiperazine (VI) yielded the title compound.
| 【1】 Davis, P.; Hutchings, M.; Moffat, D.; et al.; 4-Pyridin-5-yl-2-(3,4,5-trimethoxyphenylamino)pyrimidines: Potent and selective inhibitors of ZAP 70. Bioorg Med Chem Lett 1999, 9, 23, 3351. |
| 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) | 26555 | 1-(6-chloro-3-pyridinyl)-1-ethanone | C7H6ClNO | 详情 | 详情 | |
| (II) | 31457 | N-(diethoxymethyl)-N,N-dimethylamine; diethoxy-N,N-dimethylmethanamine | 1188-33-6 | C7H17NO2 | 详情 | 详情 |
| (III) | 31458 | (E)-1-(6-chloro-3-pyridinyl)-3-(dimethylamino)-2-propen-1-one | C10H11ClN2O | 详情 | 详情 | |
| (IV) | 31459 | N-(3,4,5-Trimethoxyphenyl)guanidinium nitrate | C10H16N4O6 | 详情 | 详情 | |
| (V) | 31460 | N-[4-(6-chloro-3-pyridinyl)-2-pyrimidinyl]-N-(3,4,5-trimethoxyphenyl)amine; 4-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine | C18H17ClN4O3 | 详情 | 详情 | |
| (VI) | 31461 | (2S)-2-ethylpiperazine | C6H14N2 | 详情 | 详情 |
Extended Information