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【结 构 式】 
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【分子编号】65177 【品名】 【CA登记号】 |
【 分 子 式 】C16H22N3O12 【 分 子 量 】448.3637 【元素组成】C 42.86% H 4.95% N 9.37% O 42.82% |
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：(VII)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).
| 【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 | CAS号 | 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 |
合成路线2
该中间体在本合成路线中的序号：(VII)Finally, condensation of the tetra-acid scaffold (VII) with the aminoacyl cytosine prodrug (XVI) gives rise to the title tetra-amide adduct.
| 【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. |
Extended Information