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【结 构 式】 
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【分子编号】62544 【品名】(2S)-N-{(1R)-1-[({(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-10-[(1S)-1-methylpropyl]-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosi 【CA登记号】 |
【 分 子 式 】C54H85N7O13 【 分 子 量 】1040.30828 【元素组成】C 62.35% H 8.24% N 9.42% O 19.99% |
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：(XXXV)In a related semisynthetic strategy, didemnin A (XXIX) was first acylated by N-Boc-L-proline (XXXIII) yielding amide (XXXIV), which was further deprotected by treatment with HCl in EtOAc. The resultant prolyl didemnin A (XXXV) was then coupled with pyruvic acid (XXX) to furnish the title compound
| 【1】 Rinehart, K.L.; Katauskas, A.J. (University of Illinois); Semi-synthetic studies toward didemnin analogues. EP 0973518; JP 2001503746; WO 9817275 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XXIX) | 50796 | (2R)-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-10-[(1S)-1-methylpropyl]-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-4-methyl-2-(methylamino)pentanamide | C49H78N6O12 | 详情 | 详情 | |
| (XXX) | 24060 | 3-chloro-N-(3-methoxyphenethyl)-N-methyl-1-propanamine | C13H20ClNO | 详情 | 详情 | |
| (XXXII) | 16734 | (2S)-1-(tert-butoxycarbonyl)tetrahydro-1H-pyrrole-2-carboxylic acid; N-alpha-t-BOC-L-proline; (2S)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid | C10H17NO4 | 详情 | 详情 | |
| (XXXIV) | 62543 | tert-butyl (2S)-2-{[{(1R)-1-[({(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-10-[(1S)-1-methylpropyl]-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraaz | C59H93N7O15 | 详情 | 详情 | |
| (XXXV) | 62544 | (2S)-N-{(1R)-1-[({(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-10-[(1S)-1-methylpropyl]-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosi | C54H85N7O13 | 详情 | 详情 |
Extended Information