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【结 构 式】 
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【分子编号】51007 【品名】(2S)-2-[[(4-[4-[(2-[[(benzyloxy)carbonyl]amino]ethyl)amino]-4-oxobutoxy]-2,6-dimethylphenyl)sulfonyl]amino]-3-[[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]propionic acid 【CA登记号】 |
【 分 子 式 】C58H61N9O9S 【 分 子 量 】1060.2436 【元素组成】C 65.71% H 5.8% N 11.89% O 13.58% S 3.02% |
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：(XIII)Amine (X) was coupled with carboxylic acid (XI) to afford the corresponding amide (XII) (1,2). Basic hydrolysis of the ester group of (XII) gave acid (XIII), and subsequent cleavage of the remaining protecting groups of (XIII) with trifluoroacetic acid in the presence of triethylsilane furnished (XIV).
| 【1】 Rajopadhye, M.; Harris, T.D.; Cheesman, E.H. (DuPont Pharmaceuticals Co.); Vitronectin receptor antagonist pharmaceuticals. WO 0035488 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (X) | 51004 | methyl (2S)-3-amino-2-[[(4-[4-[(2-[[(benzyloxy)carbonyl]amino]ethyl)amino]-4-oxobutoxy]-2,6-dimethylphenyl)sulfonyl]amino]propanoate | C26H36N4O8S | 详情 | 详情 | |
| (XI) | 51005 | 1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazole-5-carboxylic acid | C33H29N5O2 | 详情 | 详情 | |
| (XII) | 51006 | methyl (2S)-2-[[(4-[4-[(2-[[(benzyloxy)carbonyl]amino]ethyl)amino]-4-oxobutoxy]-2,6-dimethylphenyl)sulfonyl]amino]-3-[[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]propanoate | C59H63N9O9S | 详情 | 详情 | |
| (XIII) | 51007 | (2S)-2-[[(4-[4-[(2-[[(benzyloxy)carbonyl]amino]ethyl)amino]-4-oxobutoxy]-2,6-dimethylphenyl)sulfonyl]amino]-3-[[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]propionic acid | C58H61N9O9S | 详情 | 详情 | |
| (XIV) | 51008 | (2S)-2-[[(4-[4-[(2-aminoethyl)amino]-4-oxobutoxy]-2,6-dimethylphenyl)sulfonyl]amino]-3-[([1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl]carbonyl)amino]propionic acid | C31H41N9O7S | 详情 | 详情 |
Extended Information