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 -Drug Synthesis Database

【结构式】

【分子编号】52058

【品名】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

【CA登记号】

【分子式】C₄₀H₈₀N₁₀O₁₀

【分子量】861.1366

【元素组成】C 55.79% H 9.36% N 16.27% O 18.58%

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：(XIV)

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).

参考文献中间体

合成目标

【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	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

Extended Information