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【结 构 式】 
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【药物名称】N-5228 【化学名称】trans-(all E)-N,N'-Bis(3,4-dimethoxybenzyl)-N-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)cyclohexane-1,2-diamine 【CA登记号】194720-56-4, 194721-15-8 (as dihydrochloride), 194720-58-6 (cis-isomer), 194720-64-4 (R,R), 194720-65-5 (S,S) 【 分 子 式 】C69H106N2O4 【 分 子 量 】1027.62517 |
【开发单位】Nisshin Pharma (Originator) 【药理作用】Modulators of the Therapeutic Activity of Antineoplastic Agents, Multidrug Resistance Modulators, ONCOLYTIC DRUGS |
合成路线1
Reductive alkylation of trans-1,2-cyclohexanediamine (I) with veratraldehyde (II) in the presence of NaBH4 afforded the corresponding bis-(benzylamino)cyclohexane derivative (III). This was then alkylated with solanesyl bromide (IV) in THF to furnish the title compound
| 【1】 Inomata, K.; Takahashi, T.; Inoue, H.; Taniuchi, M.; Yamazaki, H.; Suzuki, M.; Takazawa, T.; Kawamura, K.; Oshida, N.; Ikemoto, H.; Kishie, T. (Nisshin Seifun Group Inc.); Isoprene derivs.. EP 0787716; JP 1997268162 . |
| 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) | 23788 | (1S,2S)-2-aminocyclohexylamine; (1S,2S)-1,2-cyclohexanediamine | 21436-03-3 | C6H14N2 | 详情 | 详情 |
| (II) | 18304 | 3,4-Dimethoxybenzaldehyde; Veratraldehyde | 120-14-9 | C9H10O3 | 详情 | 详情 |
| (III) | 60503 | (1R,2R)-N~1~,N~2~-bis(3,4-dimethoxybenzyl)-1,2-cyclohexanediamine; N-(3,4-dimethoxybenzyl)-N-{(1R,2R)-2-[(3,4-dimethoxybenzyl)amino]cyclohexyl}amine | C24H34N2O4 | 详情 | 详情 | |
| (IV) | 60504 | (2E,6E,10E,14E,18E,22E,26E,30E)-1-bromo-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaene | C45H73Br | 详情 | 详情 |