dimethyl 2-[(2-[(tert-butoxycarbonyl)amino]-4-{[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]amino}-4-oxobutanoyl)amino]succinate -Drug Synthesis Database

【结构式】

【分子编号】57572

【品名】dimethyl 2-[(2-[(tert-butoxycarbonyl)amino]-4-{[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]amino}-4-oxobutanoyl)amino]succinate

【CA登记号】

【分子式】C₂₁H₃₃N₃O₁₂

【分子量】519.50604

【元素组成】C 48.55% H 6.4% N 8.09% O 36.96%

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：(III)

Coupling between N-Boc-aspartic acid (I) and dimethyl aspartate (II) using EDC and DMAP affords tripeptide (III). Subsequent Boc group deprotection in (III) employing trifluoroacetic acid leads to amine (IV).This is then coupled to the polyethyleneglycol-acid (V) producing amide (VI). Basic hydrolysis of the ester groups of (VI) then gives the tetra-carboxylic acid scaffold (VII).

参考文献中间体

合成目标

【1】 Choe, Y.H.; et al.; Anticancer drug delivery systems: multi-loaded N-4-acyl poly(ethylene glycol) prodrugs of ara-C. II. Efficacy in ascites and solid tumors. J Control Release 2002, 79, 1-3, 55.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	57571	N-(tert-butoxycarbonyl)aspartic acid	C₉H₁₅NO₆	详情	详情
(II)	39047	dimethyl 2-aminosuccinate	C₆H₁₁NO₄	详情	详情
(III)	57572	dimethyl 2-[(2-[(tert-butoxycarbonyl)amino]-4-{[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]amino}-4-oxobutanoyl)amino]succinate	C₂₁H₃₃N₃O₁₂	详情	详情
(IV)	57573	dimethyl 2-[(2-amino-4-{[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]amino}-4-oxobutanoyl)amino]succinate	C₁₆H₂₅N₃O₁₀	详情	详情
(V)	65175		C₄H₇O₃	详情	详情
(VI)	65176		C₂₀H₃₀N₃O₁₂	详情	详情
(VII)	65177		C₁₆H₂₂N₃O₁₂	详情	详情

Extended Information