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【结 构 式】 
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【药物名称】 【化学名称】3-(Ethoxycarbonyl)-5-(ethylsulfanylcarbonyl)-4,6-diethyl-1-methyl-2-phenylpyridinium iodide 【CA登记号】 【 分 子 式 】C22H28INO3S 【 分 子 量 】513.44176 |
【开发单位】National Institutes of Health (Originator) 【药理作用】Angina pectoris, Treatment of, Antiallergy/Antiasthmatic Drugs, Asthma Therapy, CARDIOVASCULAR DRUGS, RESPIRATORY DRUGS, Treatment of Disorders of the Coronary Arteries and Atherosclerosis, Adenosine A3 Antagonists |
合成路线1
Pyridine (V) was prepared by Hantsch synthesis upon condensation of ketothioester (I), aldehyde (II) and enamino ester (III), followed by oxidative aromatization of the resulting dihydropyridine (IV) with chloranil, according to a reported method. N-Alkylation of pyridine (V) with iodomethane in hot nitromethane in a sealed tube under pressure furnished the title pyridinium salt.
| 【1】 Li, A.-H.; Xie, R.; melman, N.; Ji, X.-D.; Stiles, G.L.; Olah, M.E.; Jacobson, K.A.; Selective A3 adenosine receptor antagonists: Water-soluble 3,5-diacyl-1,2,4-trialkylpyridinium salts and their oxidative generation from dihydropyridine precursors. J Med Chem 1999, 42, 20, 4232. |
| 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) | 23696 | S-ethyl 3-oxopentanethioate | C7H12O2S | 详情 | 详情 | |
| (II) | 15966 | propionaldehyde | 123-38-6 | C3H6O | 详情 | 详情 |
| (III) | 23715 | ethyl (E)-3-amino-3-phenyl-2-propenoate | C11H13NO2 | 详情 | 详情 | |
| (IV) | 23699 | ethyl 4,6-diethyl-5-[(ethylsulfanyl)carbonyl]-2-phenyl-1,4-dihydro-3-pyridinecarboxylate | C21H27NO3S | 详情 | 详情 | |
| (V) | 43762 | ethyl 4,6-diethyl-5-[(ethylsulfanyl)carbonyl]-2-phenylnicotinate | C21H25NO3S | 详情 | 详情 |