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【结 构 式】 
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【分子编号】52060 【品名】benzyl (1S,38S)-38-[[(benzyloxy)carbonyl]amino]-1-(4-[[(benzyloxy)carbonyl]amino]butyl)-13,26-bis((12S)-12-[[(benzyloxy)carbonyl]amino]-4,11,18-trioxo-20-phenyl-19-oxa-3,10,17-triazaicos-1-yl)-2,9,14,25,30,37,44-heptaoxo-46-phenyl-15,18,21,24,45-pentaoxa-3,10,13,26,29,36,43-heptaazahexatetracont-1-ylcarbamate 【CA登记号】 |
【 分 子 式 】C128H176N18O30 【 分 子 量 】2446.90876 【元素组成】C 62.83% H 7.25% N 10.3% O 19.62% |
合成路线1
该中间体在本合成路线中的序号：(XVI)Coupling of the tetraamino compound (XIV) with bis(carbobenzoxy)lysine hydroxysuccinimidyl ester (XV) yielded the corresponding tetraamide (XVI). The carbobenzoxy groups of (XVI) were removed by catalytic hydrogenation over Pd/C, and the deprotected polyamino compound was then acylated with chloroacetic anhydride to afford the octa(chloroacetamide) (XVII).
| 【1】 Yu, L.; Jack, R.M.; Jones, D. (La Jolla Pharmaceutical Co.); Conjugates comprising galactose alpha 1,3 galactosyl epitopes and methods of using same. EP 1137652; WO 0034296 . |
| 【2】 Jones, D.S.; Engle, S.B.; Yu, L.; Jack, R.M. (La Jolla Pharmaceutical Co.); Methods and formulations for reducing circulating antibodies. WO 0033887 . |
| 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) | 52058 | 20-amino-11-[2-[(6-aminohexanoyl)amino]ethyl]-10,15-dioxo-3,6,9-trioxa-11,14-diazaicos-1-yl bis[2-[(6-aminohexanoyl)amino]ethyl]carbamate | C40H80N10O10 | 详情 | 详情 | |
| (XV) | 52059 | benzyl (1S)-5-[[(benzyloxy)carbonyl]amino]-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]pentylcarbamate | C26H29N3O8 | 详情 | 详情 | |
| (XVI) | 52060 | benzyl (1S,38S)-38-[[(benzyloxy)carbonyl]amino]-1-(4-[[(benzyloxy)carbonyl]amino]butyl)-13,26-bis((12S)-12-[[(benzyloxy)carbonyl]amino]-4,11,18-trioxo-20-phenyl-19-oxa-3,10,17-triazaicos-1-yl)-2,9,14,25,30,37,44-heptaoxo-46-phenyl-15,18,21,24,45-pentaoxa-3,10,13,26,29,36,43-heptaazahexatetracont-1-ylcarbamate | C128H176N18O30 | 详情 | 详情 | |
| (XVII) | 52061 | (23S)-11-(2-[[6-([(2S)-2,6-bis[(2-chloroacetyl)amino]hexanoyl]amino)hexanoyl]amino]ethyl)-30-chloro-23-[(2-chloroacetyl)amino]-10,15,22,29-tetraoxo-3,6,9-trioxa-11,14,21,28-tetraazatriacont-1-yl bis(2-[[6-([(2S)-2,6-bis[(2-chloroacetyl)amino]hexanoyl]amino)hexanoyl]amino]ethyl)carbamate | C80H136Cl8N18O22 | 详情 | 详情 |