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【结 构 式】 
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【药物名称】KF-38789 【化学名称】3-[7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2H-pyran-2-one 【CA登记号】257292-29-8 【 分 子 式 】C19H21NO5S 【 分 子 量 】375.44692 |
【开发单位】Kyowa Hakko (Originator), ChemBridge Corp. (Bulk Supplier) 【药理作用】Acute Myocardial Infarction, Treatment of, CARDIOVASCULAR DRUGS, Cerebrovascular Diseases, Treatment of, Ischemic Stroke, Treatment of, NEUROLOGIC DRUGS, Stroke, Treatment of, Treatment of Disorders of the Coronary Arteries and Atherosclerosis, P-Selectin Inhibitors |
合成路线1
The condensation of 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (I) with 2,4-dimethoxybenzaldehyde (II) by means of piperidine in refluxing ethanol gives the acryloyl derivative (III), which is finally cyclized with 2-aminoethanethiol (IV) in refluxing ethanol to afford the target thiazepine derivative.
| 【1】 Cai, S.X.; Spencer, J.R.; Litvak, J.; Drewe, J.A.; Shelton, E.J.; Sperandio, D. (Cytovia, Inc.); Substd. 1,4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof. WO 0179187 . |
| 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) | 55829 | 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one | C8H8O4 | 详情 | 详情 | |
| (II) | 55830 | 2,4-Dimethoxybenzaldehyde | 613-45-6 | C9H10O3 | 详情 | 详情 |
| (III) | 55831 | 3-[(E)-3-(2,4-dimethoxyphenyl)-2-propenoyl]-4-hydroxy-6-methyl-2H-pyran-2-one | C17H16O6 | 详情 | 详情 | |
| (IV) | 13186 | 2-Aminoethanethiol; 2-Amino-1-ethanethiol; 2-Aminoethylhydrosulfide; Cysteamine | 60-23-1 | C2H7NS | 详情 | 详情 |