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【结 构 式】 
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【分子编号】52486 【品名】 【CA登记号】 |
【 分 子 式 】C51H66N8O12 【 分 子 量 】983.13176 【元素组成】C 62.31% H 6.77% N 11.4% O 19.53% |
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 between gamma-tert-butoxy glutamic acid (XI) and gamma-tert-butoxy-N-Cbz-glutamic acid succinimidyl ester (XII) produced the protected dipeptide (XIII). This was further coupled to the intermediate amine (X) to furnish the corresponding amide (XIV). After hydrogenolysis of the N-Cbz protecting group of (XIV), the resultant amine (XV) was acylated with tetraazacyclododecanetetraacetic acid tri-tert-butyl ester (XVI), yielding the amide adduct (XVII).
| 【1】 Cheesman, E.H.; et al.; Nonpeptide vitronectin antagonists labeled with Tc99m for imaging tumors. 222nd ACS Natl Meet (Aug 26 2001, Chicago) 2001, Abst MEDI 77. |
| 【2】 Sworin, M.; Cheesman, E.H.; Rajopadhyem, M. (DuPont Pharmaceuticals Co.); Vitronectin receptor antagonist pharmaceuticals. EP 1140864; WO 0035887 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (X) | 52482 | methyl 2-(4-(3-aminopropyl)-7-{[(1H-benzimidazol-2-ylmethyl)(methyl)amino]carbonyl}-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl)acetate | C25H30N6O4 | 详情 | 详情 | |
| (XI) | 51009 | (2S)-2-amino-5-(tert-butoxy)-5-oxopentanoic acid | C9H17NO4 | 详情 | 详情 | |
| (XII) | 51010 | tert-butyl (4S)-4-[[(benzyloxy)carbonyl]amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoate | C21H26N2O8 | 详情 | 详情 | |
| (XIII) | 51011 | (2S)-2-[[(2S)-2-[[(benzyloxy)carbonyl]amino]-5-(tert-butoxy)-5-oxopentanoyl]amino]-5-(tert-butoxy)-5-oxopentanoic acid | C26H38N2O9 | 详情 | 详情 | |
| (XIV) | 52486 | C51H66N8O12 | 详情 | 详情 | ||
| (XV) | 51014 | 2-[4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid | C28H52N4O8 | 详情 | 详情 | |
| (XVI) | 52483 | C43H60N8O10 | 详情 | 详情 | ||
| (XVII) | 52484 | C71H110N12O17 | 详情 | 详情 |
Extended Information