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【结 构 式】 
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【药物名称】PD-171729 【化学名称】N-Butyl-N-[3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-ethylamine 【CA登记号】202579-59-7 【 分 子 式 】C20H24Cl2N4 【 分 子 量 】391.34708 |
【开发单位】Pfizer (Originator) 【药理作用】Antidepressants, Anxiolytics, Mood Disorders, Treatment of, PSYCHOPHARMACOLOGIC DRUGS, CRF1 Antagonists |
合成路线1
The cyclization of 5-aminopyrazole (I) with ethyl acetoacetate (II) by means of p-tolulenesulfonic acid in refluxing toluene gives the pyrazolo-pyrimidinone (III), along with its undesired isomer that is separated by crystallization or chromatography. The reaction of (III) with POCl3 gives the chloro derivative (IV), which is finally condensed with butylethylamine (V).
| 【1】 Nakada, N.; et al.; Mechanism of inhibition of DNA gyrase by cyclothialidine, a novel DNA gyrase inhibitor. Antimicrob Agents Chemother 1994, 38, 9, 1966. |
| 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) | 27688 | 4-(2,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-amine | C10H9Cl2N3 | 详情 | 详情 | |
| (II) | 11819 | ethyl acetoacetate; ethyl 3-oxobutanoate；Acetoacetic ester;Ethyl beta-ketobutyrate;ethyl 3-oxobutyrate | 141-97-9 | C6H10O3 | 详情 | 详情 |
| (III) | 27689 | 3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one | C14H11Cl2N3O | 详情 | 详情 | |
| (IV) | 27690 | 7-chloro-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine | C14H10Cl3N3 | 详情 | 详情 | |
| (V) | 26788 | N-butyl-N-ethylamine | 13360-63-9 | C6H15N | 详情 | 详情 |
Extended Information