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【结 构 式】 
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【分子编号】60042 【品名】methyl (2R)-3-(1H-indol-3-yl)-2-[({5-[2-(4-methylphenyl)ethynyl]-2-thienyl}sulfonyl)amino]propanoate 【CA登记号】 |
【 分 子 式 】C25H22N2O4S2 【 分 子 量 】478.59276 【元素组成】C 62.74% H 4.63% N 5.85% O 13.37% S 13.4% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(V)Acylation of D-tryptophan methyl ester (I) with 5-bromo-2-thiophenesulfonyl chloride (II) yields sulfonamide (III). Subsequent Heck coupling of aryl bromide (III) with 4-methylphenylacetylene (IV) in the presence of copper and palladium catalysts gives rise to the diaryl acetylene (V). Finally, hydrolysis of the methyl ester group of (V) under alkaline conditions furnishes the target carboxylic acid
| 【1】 Watanabe, F.; Tsuzuki, H.; Ohtani, M. (Shionogi & Co. Ltd.); Sulfonated amino acid derivs. and metalloproteinase inhibitors containing the same. EP 0950656; JP 2001316254; US 6207698; US 6235768; US 6441021; WO 9727174 . |
| 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) | 20416 | methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate | C12H14N2O2 | 详情 | 详情 | |
| (II) | 60039 | 5-bromo-2-thiophenesulfonyl chloride | 55854-46-1 | C4H2BrClO2S2 | 详情 | 详情 |
| (III) | 60040 | methyl (2R)-2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(1H-indol-3-yl)propanoate | C16H15BrN2O4S2 | 详情 | 详情 | |
| (IV) | 60041 | 1-ethynyl-4-methylbenzene | C9H8 | 详情 | 详情 | |
| (V) | 60042 | methyl (2R)-3-(1H-indol-3-yl)-2-[({5-[2-(4-methylphenyl)ethynyl]-2-thienyl}sulfonyl)amino]propanoate | C25H22N2O4S2 | 详情 | 详情 |
Extended Information