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【结 构 式】 
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【分子编号】40639 【品名】(2S,5S,8S,11R,13S,14S,17S,20S)-20-amino-2-benzyl-5-[3-(tert-butoxy)-3-oxopropyl]-13-[[tert-butyl(dimethyl)silyl]oxy]-14-isobutyl-8,11,21-trimethyl-4,7,10,16,19-pentaoxo-17-[2-oxo-2-(tritylamino)ethyl]-3,6,9,15,18-pentaazadocosan-1-oic acid 【CA登记号】 |
【 分 子 式 】C65H93N7O11Si 【 分 子 量 】1176.5795 【元素组成】C 66.35% H 7.97% N 8.33% O 14.96% Si 2.39% |
合成路线1
该中间体在本合成路线中的序号：(XXII)Coupling-deprotection cycle with N-Fmoc-valine (XXI) furnished the peptide resin (XXII). Finally, removal of the side-chain protecting groups and cleavage from the resin by means of 95% trifluoroacetic acid yielded the title compound (Scheme 28685901c).
| 【1】 Lin, X.; Shin, D.; Downs, D.; Tang, J.; Koelsch, G.; Ghosh, A.K.; Ermolieff, J.; Design of potent inhibitors for human brain memapsin 2 (beta-secretase). J Am Chem Soc 2000, 122, 14, 3522. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XX) | 40638 | (5S,8S,9S,11R,14S,17S,20S)-5-amino-20-benzyl-17-[3-(tert-butoxy)-3-oxopropyl]-9-[[tert-butyl(dimethyl)silyl]oxy]-8-isobutyl-11,14-dimethyl-3,6,12,15,18-pentaoxo-1,1,1-triphenyl-2,7,13,16,19-pentaazahenicosan-21-oic acid | C60H84N6O10Si | 详情 | 详情 | |
| (XXI) | 19932 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbutyric acid | C20H21NO4 | 详情 | 详情 | |
| (XXII) | 40639 | (2S,5S,8S,11R,13S,14S,17S,20S)-20-amino-2-benzyl-5-[3-(tert-butoxy)-3-oxopropyl]-13-[[tert-butyl(dimethyl)silyl]oxy]-14-isobutyl-8,11,21-trimethyl-4,7,10,16,19-pentaoxo-17-[2-oxo-2-(tritylamino)ethyl]-3,6,9,15,18-pentaazadocosan-1-oic acid | C65H93N7O11Si | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(XXII)Sequential coupling-deprotection cycles with N- N-Fmoc-valine (XXI), and N-Fmoc-glutamic acid gamma-tert-butyl ester (XIV) furnished the peptide resins (XXII) and (XXIII), respectively. Finally, removal of the side-chain protecting groups and cleavage from the resin by means of 95% trifluoroacetic acid yielded the title compound.) (Scheme 28686001c)
| 【1】 Lin, X.; Shin, D.; Downs, D.; Tang, J.; Koelsch, G.; Ghosh, A.K.; Ermolieff, J.; Design of potent inhibitors for human brain memapsin 2 (beta-secretase). J Am Chem Soc 2000, 122, 14, 3522. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIV) | 22258 | (2S)-5-(tert-butoxy)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxopentanoic acid | 104091-08-9 | C24H27NO6 | 详情 | 详情 |
| (XX) | 40638 | (5S,8S,9S,11R,14S,17S,20S)-5-amino-20-benzyl-17-[3-(tert-butoxy)-3-oxopropyl]-9-[[tert-butyl(dimethyl)silyl]oxy]-8-isobutyl-11,14-dimethyl-3,6,12,15,18-pentaoxo-1,1,1-triphenyl-2,7,13,16,19-pentaazahenicosan-21-oic acid | C60H84N6O10Si | 详情 | 详情 | |
| (XXI) | 19932 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbutyric acid | C20H21NO4 | 详情 | 详情 | |
| (XXII) | 40639 | (2S,5S,8S,11R,13S,14S,17S,20S)-20-amino-2-benzyl-5-[3-(tert-butoxy)-3-oxopropyl]-13-[[tert-butyl(dimethyl)silyl]oxy]-14-isobutyl-8,11,21-trimethyl-4,7,10,16,19-pentaoxo-17-[2-oxo-2-(tritylamino)ethyl]-3,6,9,15,18-pentaazadocosan-1-oic acid | C65H93N7O11Si | 详情 | 详情 | |
| (XXIII) | 40640 | C74H108N8O14Si | 详情 | 详情 |