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【结 构 式】 
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【分子编号】40721 【品名】tert-butyl (E,7E)-2-[2-(6-amino-9H-purin-9-yl)ethyl]-1,7-bis[(tert-butoxycarbonyl)amino]-6-[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]-11,11-dimethyl-9-oxo-10-oxa-2,6,8-triaza-7-dodecen-1-ylidenecarbamate 【CA登记号】 |
【 分 子 式 】C49H68ClN13O9 【 分 子 量 】1018.61384 【元素组成】C 57.78% H 6.73% Cl 3.48% N 17.88% O 14.14% |
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)The known acridine-purine hybrid molecule (I) was converted into the Boc-protected bisguanidine derivative (III) by reaction with bis(tert-butoxycarbonyl)thiourea (II) in the presence of HgCl2 and Et3N. Subsequent acidic cleavage of the Boc groups gave the title compound.
| 【1】 Belmont, P.; et al.; Abasic site recognition in DNA as a new strategy to potentiate the action of anticancer alkylating drugs?. J Med Chem 1999, 42, 25, 5153. |
| 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) | 40720 | N(1)-[2-(6-amino-9H-purin-9-yl)ethyl]-N(3)-[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]-1,3-propanediamine; N-[2-(6-amino-9H-purin-9-yl)ethyl]-N-[3-([3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]amino)propyl]amine | C27H32ClN9O | 详情 | 详情 | |
| (II) | 21843 | tert-butyl [(tert-butoxycarbonyl)amino]carbothioylcarbamate | 145013-05-4 | C11H20N2O4S | 详情 | 详情 |
| (III) | 40721 | tert-butyl (E,7E)-2-[2-(6-amino-9H-purin-9-yl)ethyl]-1,7-bis[(tert-butoxycarbonyl)amino]-6-[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]-11,11-dimethyl-9-oxo-10-oxa-2,6,8-triaza-7-dodecen-1-ylidenecarbamate | C49H68ClN13O9 | 详情 | 详情 |
Extended Information