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【结 构 式】

【分子编号】23671

【品名】2-[(3R,6S,9S,14S,17S,18S)-17-amino-9,14-diisobutyl-3,18-dimethyl-2,5,8,11,13,16-hexaoxo-12-(triphenylphosphoranylidene)-1-oxa-4,7,10,15-tetraazacyclooctadecan-6-yl]acetamide

【CA登记号】

【 分 子 式 】C43H55N6O8P

【 分 子 量 】814.919102

【元素组成】C 63.38% H 6.8% N 10.31% O 15.71% P 3.8%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(XIII)

The tert-butoxycarbonyl and 4,4'-dimethoxybenzhydryl groups of (XII) were then deprotected using trifluoroacetic acid, and the resulting compound (XIII) was coupled with the phenylacetyl dipeptide (XIV) to form (XV). Finally, the phosphorus ylide of (XV) was transformed to the desired carbonyl function by means of ozonolytic cleavage of the C=P double bond.

1 Wasserman, H.H.; et al.; The chemistry of vicinal tricarbonyls: Total syntheses of elastase inhibitors YM-47141 and YM-47142. Helv Chim Acta 2000, 83, 9, 2607.
2 Wasserman, H.H.; et al.; Total syntheses of depsipeptide elastase inhibitor. J Am Chem Soc 1999, 121, 6, 1401.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XII) 23670   C49H65N6O10P 详情 详情
(XIII) 23671 2-[(3R,6S,9S,14S,17S,18S)-17-amino-9,14-diisobutyl-3,18-dimethyl-2,5,8,11,13,16-hexaoxo-12-(triphenylphosphoranylidene)-1-oxa-4,7,10,15-tetraazacyclooctadecan-6-yl]acetamide C43H55N6O8P 详情 详情
(XIV) 23672 (2S,3S)-3-hydroxy-2-([(2S)-3-phenyl-2-[(2-phenylacetyl)amino]propanoyl]amino)butyric acid C21H24N2O5 详情 详情
(XV) 23673 (2S,3S)-N-[(3R,6S,9S,14S,17S,18S)-6-(2-amino-2-oxoethyl)-9,14-diisobutyl-3,18-dimethyl-2,5,8,11,13,16-hexaoxo-12-(triphenylphosphoranylidene)-1-oxa-4,7,10,15-tetraazacyclooctadecan-17-yl]-3-hydroxy-2-([(2S)-3-phenyl-2-[(2-phenylacetyl)amino]propanoyl]amino)butanamide C64H77N8O12P 详情 详情

合成路线2

该中间体在本合成路线中的序号:(XIII)

The tert-butoxycarbonyl and 4,4'-dimethoxybenzhydryl groups of (XII) were then deprotected using trifluoroacetic acid, and the resulting compound (XIII) was coupled with the isovaleryl dipeptide (XIV) to form (XV). Finally, the phosphorus ylide of (XV) was transformed to the desired carbonyl function by means of ozonolytic cleavage of the C=P double bond.

1 Wasserman, H.H.; et al.; The chemistry of vicinal tricarbonyls: Total syntheses of elastase inhibitors YM-47141 and YM-47142. Helv Chim Acta 2000, 83, 9, 2607.
2 Wasserman, H.H.; et al.; Total syntheses of depsipeptide elastase inhibitor. J Am Chem Soc 1999, 121, 6, 1401.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XII) 23670   C49H65N6O10P 详情 详情
(XIII) 23671 2-[(3R,6S,9S,14S,17S,18S)-17-amino-9,14-diisobutyl-3,18-dimethyl-2,5,8,11,13,16-hexaoxo-12-(triphenylphosphoranylidene)-1-oxa-4,7,10,15-tetraazacyclooctadecan-6-yl]acetamide C43H55N6O8P 详情 详情
(XIV) 23674 (2S,3S)-3-hydroxy-2-([(2S)-2-[(3-methylbutanoyl)amino]-3-phenylpropanoyl]amino)butyric acid C18H26N2O5 详情 详情
(XV) 23675 (2S,3S)-N-[(3R,6S,9S,14S,17S,18S)-6-(2-amino-2-oxoethyl)-9,14-diisobutyl-3,18-dimethyl-2,5,8,11,13,16-hexaoxo-12-(triphenylphosphoranylidene)-1-oxa-4,7,10,15-tetraazacyclooctadecan-17-yl]-3-hydroxy-2-([(2S)-2-[(3-methylbutanoyl)amino]-3-phenylpropan C61H79N8O12P 详情 详情
Extended Information