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【结 构 式】

【分子编号】58761

【品名】tert-butyl 2-[(3-{(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-31-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecylnonatriacontahydro-1H,5H,21H-dipyrrolo[2,1-o:2,1-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-22-yl}propyl)amino]ethylcarbamate

【CA登记号】

【 分 子 式 】C78H129N15O25

【 分 子 量 】1676.96836

【元素组成】C 55.87% H 7.75% N 12.53% O 23.85%

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:(V)

The natural macrocyclic depsipeptide RO-0093655 (IV) was subjected to reductive alkylation with N-Boc-aminoacetaldehyde (II), yielding the mono-protected diamino compound (V). Subsequent acylation of amine (V) with the ornithine derivative (III) provided the corresponding amide (VI).

1 Masubuchi, K.; et al.; Synthesis and antifungal activities of novel 1,3-beta-D-glucan synthase inhibitor. Part 2. Bioorg Med Chem Lett 2001, 11, 10, 1273.
2 Okada, T.; et al.; Synthesis and antifungal activities of novel 1,3-beta-D-glucan synthase inhibitors. 223rd ACS Natl Meet (April 7 2002, Orlando) 2002, Abst MEDI 174.
3 Shimma, N.; Kobayashi, K.; Horii, I.; Yanagawa, A. (Basilea Pharmaceutica AG); Nasally administrable cyclic peptide compsns.. WO 0152894 .
4 Okada, T.; Shimma, N.; Murata, T.; Masubuchi, K.; Kohchi, M. (Basilea Pharmaceutica AG); Novel cyclic cpds.. EP 1254161; WO 0153322 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(II) 58759 tert-butyl 2-oxoethylcarbamate C7H13NO3 详情 详情
(III) 58760 (2S)-2-(bis{2-[(tert-butoxycarbonyl)amino]ethyl}amino)-5-[(tert-butoxycarbonyl)amino]pentanoic acid C24H46N4O8 详情 详情
(IV) 50193 (3R)-3-[(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-22-(3-aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecylnonatriacontahydro-1H,5H,21H-dipyrrolo[2,1-o:2,1-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide C71H116N14O23 详情 详情
(V) 58761 tert-butyl 2-[(3-{(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-31-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecylnonatriacontahydro-1H,5H,21H-dipyrrolo[2,1-o:2,1-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-22-yl}propyl)amino]ethylcarbamate C78H129N15O25 详情 详情
(VI) 58762   C102H173N19O32 详情 详情
Extended Information