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【结 构 式】 
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【药物名称】 【化学名称】2-Chloro-8-(trifluoromethyl)pyrimido[4,5-b][1,5]benzothiazepin-5(6H)-one 【CA登记号】 【 分 子 式 】C12H5ClF3N3OS 【 分 子 量 】331.70535 |
【开发单位】Signal (Originator) 【药理作用】Antiallergy/Antiasthmatic Drugs, Antiarthritic Drugs, Asthma Therapy, RESPIRATORY DRUGS, TREATMENT OF MUSCULOSKELETAL & CONNECTIVE TISSUE DISEASES, AP-1 Inhibitors, NF-kappaB (NFKB) Activation Inhibitors |
合成路线1
Reduction of nitrothiophenol (I) by hydrogenation over Pd/C in THF affords substituted aniline (II), which is then cyclized with 2,4-dichloropyrimidine-5-carbonyl chloride (III) in THF in the presence of Amberlyst A-27 to yield the final product.
| 【1】 Suto, M.J.; Suto, C.; Goldman, M.E.; Palanki, M.S.S.; Erdman, P.E.; Synthesis and structure-activity relationship studies of conformationally restricted analogs of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3',5'-bis(trifluoromethyl)-phenyl)]carboxamide. Med Chem Res 2000, 10, 1, 19. |
| 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) | 47215 | 2-nitro-4-(trifluoromethyl)benzenethiol; 2-nitro-4-(trifluoromethyl)phenylhydrosulfide | C7H4F3NO2S | 详情 | 详情 | |
| (II) | 12097 | 2-Amino-4-(trifluoromethyl)benzenethiol; 2-Amino-4-(trifluoromethyl)phenylhydrosulfide | C7H6F3NS | 详情 | 详情 | |
| (III) | 47216 | 2,4-dichloro-5-pyrimidinecarbonyl chloride | C5HCl3N2O | 详情 | 详情 |
Extended Information