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【结 构 式】 
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【分子编号】19040 【品名】(2R)-N-((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)-2-([(2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoyl]amino)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide 【CA登记号】 |
【 分 子 式 】C51H70N8O8S 【 分 子 量 】955.23192 【元素组成】C 64.13% H 7.39% N 11.73% O 13.4% S 3.36% |
合成路线1
该中间体在本合成路线中的序号：(XI)Compound (VII) is submitted to amino acid coupling and deprotection cycle with O-t-Bu-alpha-Fmoc-tyrosine (IX), to yield resin (XI). Finally, acidic treatment of (XI) with trifluoroacetic acid in anisole and dichloromethane simultaneously effects deprotection of the O-tert-butyl and N-2,2,5,7,8-pentamethylchroman-6-sulfonyl (Pmc) groups, and liberates the peptide amide from the resin.
| 【1】 Brown, W.; DiMaio, J.; Schiller, P.; Martel, R. (AstraZeneca plc); Novel opioid peptides for the treatment of pain and use thereof. JP 1997509168; WO 9522557 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VIII) | 19037 | (2R)-2-amino-N-((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide | C38H53N7O6S | 详情 | 详情 | |
| (IX) | 18858 | (2S)-3-[4-(tert-butoxy)phenyl]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]propionic acid | C28H29NO5 | 详情 | 详情 | |
| (X) | 19039 | 9H-fluoren-9-ylmethyl (1S)-2-([(1R)-1-[[((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)amino]carbonyl]-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butyl]amino)-1-[4-(tert-butoxy)benzyl]-2-oxoethylcarbamate | C66H80N8O10S | 详情 | 详情 | |
| (XI) | 19040 | (2R)-N-((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)-2-([(2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoyl]amino)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide | C51H70N8O8S | 详情 | 详情 |