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【结 构 式】 
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【分子编号】49390 【品名】(2-chlorophenyl)(diphenyl)methyl (9S,12R,15R,18R,21R)-15-((1R)-1-[[(2S)-2-amino-3-methylbutanoyl]oxy]ethyl)-9-[[(1-[(2R,5S,8S,11R)-8-[1-(tert-butoxy)ethyl]-2,5,11-triisopropyl-17-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadec-1-anoyl]-2-pyrrolidinyl)carbonyl]amino]-21-isopropyl-2,2-dimethyl-12,18-bis[(1S)-1-methylpropyl]-4,10,13,16,19-pentaoxo-3-oxa-5,11,14,17,20-pentaazadocosan-22-oate 【CA登记号】 |
【 分 子 式 】C90H141ClN12O17 【 分 子 量 】1698.63292 【元素组成】C 63.64% H 8.37% Cl 2.09% N 9.9% O 16.01% |
合成路线1
该中间体在本合成路线中的序号：(XXIII)Elimination of the Alloc protecting group of resin (XXII) by means of Pd(PPh3)4 and PhSiH3 gives peptide resin (XXIII), which is coupled successively with Fmoc-L-Thr-OH (XXIV) and Alloc-L-Phe-OH (XXVI) to yield peptide resins (XXV) and (XXVII), respectively.
| 【1】 Royo, M.; Manzanares, I.; Lopez, A.; Jimenez, J.C.; Albericio, F.; Giralt, E.; Rodrigues, I. (PharmaMar, SA); Kahalalide cpds.. WO 0158934 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XXII) | 49389 | (2-chlorophenyl)(diphenyl)methyl (9S,12R,15R,18R,21R)-15-[(1R)-1-[((2S)-2-[[(allyloxy)carbonyl]amino]-3-methylbutanoyl)oxy]ethyl]-9-[[(1-[(2R,5S,8S,11R)-8-[1-(tert-butoxy)ethyl]-2,5,11-triisopropyl-17-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadec-1-anoyl]-2-pyrrolidinyl)carbonyl]amino]-21-isopropyl-2,2-dimethyl-12,18-bis[(1S)-1-methylpropyl]-4,10,13,16,19-pentaoxo-3-oxa-5,11,14,17,20-pentaazadocosan-22-oate | C94H145ClN12O19 | 详情 | 详情 | |
| (XXIII) | 49390 | (2-chlorophenyl)(diphenyl)methyl (9S,12R,15R,18R,21R)-15-((1R)-1-[[(2S)-2-amino-3-methylbutanoyl]oxy]ethyl)-9-[[(1-[(2R,5S,8S,11R)-8-[1-(tert-butoxy)ethyl]-2,5,11-triisopropyl-17-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadec-1-anoyl]-2-pyrrolidinyl)carbonyl]amino]-21-isopropyl-2,2-dimethyl-12,18-bis[(1S)-1-methylpropyl]-4,10,13,16,19-pentaoxo-3-oxa-5,11,14,17,20-pentaazadocosan-22-oate | C90H141ClN12O17 | 详情 | 详情 | |
| (XXIV) | 49391 | (2S,3R)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxybutyric acid | C19H19NO5 | 详情 | 详情 | |
| (XXV) | 49392 | (2-chlorophenyl)(diphenyl)methyl (9S,12R,15R,18R,21R)-15-[(1R)-1-[((2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy]-3-methylbutanoyl)oxy]ethyl]-9-[[(1-[(2R,5S,8S,11R)-8-[1-(tert-butoxy)ethyl]-2,5,11-triisopropyl-17-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadec-1-anoyl]-2-pyrrolidinyl)carbonyl]amino]-21-isopropyl-2,2-dimethyl-12,18-bis[(1S)-1-methylpropyl]-4,10,13,16,19-pentaoxo-3-oxa-5,11,14,17,20-pentaazadocosan-22-oate | C94H147ClN12O20 | 详情 | 详情 | |
| (XXVI) | 49393 | (2S)-2-[[(allyloxy)carbonyl]amino]-3-phenylpropionic acid | C13H15NO4 | 详情 | 详情 | |
| (XXVII) | 49394 | C107H160ClN13O23 | 详情 | 详情 |