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【结 构 式】 
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【分子编号】49882 【品名】9H-fluoren-9-ylmethyl (1R)-1-([[(1S)-1-benzyl-2-methoxyethyl]amino]carbonyl)-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butylcarbamate 【CA登记号】 |
【 分 子 式 】C45H57N5O7S 【 分 子 量 】812.04308 【元素组成】C 66.56% H 7.08% N 8.62% O 13.79% S 3.95% |
合成路线1
该中间体在本合成路线中的序号：(III)Coupling of Fmoc-D-arginine(PMC) (I) with phenylalaninol methyl ether (II) in the presence of EDC and HOBt provided amide (III). Cleavage of the Fmoc group by using piperidine in DMF afforded amine (IV), which was subsequently coupled with dinaphthylpropionic acid (V), yielding diamide (VI). The pentamethylchromansulfonyl protecting group (PMC) was finally removed by treatment with trifluoroacetic acid in the presence of ethanedithiol and anisole.
| 【1】 Daniels, A.J.; Heyer, D.; Leban, J.J. (Glaxo Wellcome plc); Modified peptides. WO 9622305 . |
| 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) | 49886 | (2R)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanoic acid | C35H44N4O7S | 详情 | 详情 | |
| (II) | 49881 | (2S)-1-methoxy-3-phenyl-2-propanamine; (1S)-1-benzyl-2-methoxyethylamine | C10H15NO | 详情 | 详情 | |
| (III) | 49882 | 9H-fluoren-9-ylmethyl (1R)-1-([[(1S)-1-benzyl-2-methoxyethyl]amino]carbonyl)-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butylcarbamate | C45H57N5O7S | 详情 | 详情 | |
| (IV) | 49883 | (2R)-2-amino-N-[(1S)-1-benzyl-2-methoxyethyl]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide | C30H47N5O5S | 详情 | 详情 | |
| (V) | 49884 | 3,3-di(1-naphthyl)propionic acid | C23H18O2 | 详情 | 详情 | |
| (VI) | 49885 | (2R)-N-[(1S)-1-benzyl-2-methoxyethyl]-2-[[3,3-di(1-naphthyl)propanoyl]amino]-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide | C53H63N5O6S | 详情 | 详情 |