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【结 构 式】 
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【药物名称】OT-7999 【化学名称】5-Butyl-8-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[5,1-i]purine 【CA登记号】246031-23-2 【 分 子 式 】C17H15F3N6 【 分 子 量 】360.3445 |
【开发单位】Otsuka (Originator) 【药理作用】Antiglaucoma Agents, OCULAR MEDICATIONS, Ophthalmic Drugs, Adenosine A3 Antagonists |
合成路线1
The reaction of 4-amino-1H-imidazole-5-carbonitrile (I) with trimethyl orthopentanoate (II) in hot DMF gives methyl N-(5-cyano-1H-imidazol-4-yl)pentanoimidate (III), which is then cyclized with benzoic hydrazide (IV) in hot DMF to yield the target triazolo-purine derivative.
| 【1】 Kurogi, Y.; Nishikawa, H.; Okamura, T. (Otsuka Pharmaceutical Co., Ltd.); Triazolopurine derivs, medicinal compsn. containing the derivs., adenosine A3 receptor compatibilizing agent, and asthmatic remedy. EP 1069126; US 6288070; WO 9951606 . |
| 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) | 52898 | 4(5)-Amino-1H-imidazole-5(4)-carbonitrile; 4(5)-Amino-5(4)-cyanoimidazole | 5098-11-3 | C4H4N4 | 详情 | 详情 |
| (II) | 57416 | 1,1,1-Trimethoxy-n-pentane; 1,1,1-Trimethoxypentane; ortho-N-Valeric acid trimethyl ester; Trimethyl orthovalerate | 13820-09-2 | C8H18O3 | 详情 | 详情 |
| (III) | 57417 | methyl N-(5-cyano-1H-imidazol-4-yl)pentanimidoate | C10H14N4O | 详情 | 详情 | |
| (IV) | 57418 | 4-(Trifluoromethyl)benzhydrazide; 4-(Trifluoromethyl)benzoic acid hydrazide; alpha,alpha,alpha-Trifluoro-p-toluic acid hydrazide | 339-59-3 | C8H7F3N2O | 详情 | 详情 |
Extended Information