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【结 构 式】 
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【分子编号】50038 【品名】diethyl (2S)-2-[(2,4,4,6,6-pentakis[[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]-1,3,5,2lambda(5),4lambda(5),6lambda(5)-triazatriphosphinin-2-yl)amino]pentanedioate 【CA登记号】 |
【 分 子 式 】C54H96N9O24P3 【 分 子 量 】1348.323786 【元素组成】C 48.1% H 7.18% N 9.35% O 28.48% P 6.89% |
合成路线1
该中间体在本合成路线中的序号：(III)Treatment of hexachlorocyclotriphosphazene (I) with L-glutamic acid diethyl ester (II) in toluene in the presence of Et3N provides the ethyl glutamate derivative of cyclotriphosphazene (III), which is then subjected to saponification with LiOH in H2O to furnish compound (IV) (alternatively, the same procedure can be followed by performing the reaction between (I) and L-glutamic acid dimethyl ester (V) to afford the methyl glutamate derivative of cyclotriphosphazene (VI), which is saponified under the same conditions as (III)). Finally, the target product is obtained by reaction of intermediate (IV) with platinum derivative (VII) by means of Ag2SO4 in water, followed by treatment with BaCl2.H2O and precipitation in acetone.
| 【1】 Cho, Y.; Sohn, Y.S.; Baek, H.; Lee, C.O.; Synthesis and antitumor activity of cyclotriphosphazene - (diamine)platinum (II) conjugates. Anti-Cancer Drugs 2000, 11, 9, 715. |
| 【2】 Lee, C.O.; Sohn, Y.S.; Baek, H.G. (Il-Yang Pharmaceutical Co., Ltd.; Korea Institute of Science and Technology); Platinum complex conjugated to cyclotriphosphazene, its preparation, and anticancer agent comprising the same. EP 1082331; US 6221906; WO 0058321 . |
| 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) | 50037 | Phosphonitrilic Chloride; 1,3,5-Triaza-2,4,6-triphosphorin-2,2,4,4,6,6-hexachloride; Hexachlorotriphosphazene; Phosphonitrilic chloride trimer; 1,3,5,2,4,6-Triazatriphosphorine-2,2,4,4,6,6-hexachloride; Hexachlorocyclotriphosphazene | 940-71-6 | Cl6N3P3 | 详情 | 详情 |
| (II) | 11013 | diethyl (2S)-2-aminopentanedioate | C9H17NO4 | 详情 | 详情 | |
| (III) | 50038 | diethyl (2S)-2-[(2,4,4,6,6-pentakis[[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]amino]-1,3,5,2lambda(5),4lambda(5),6lambda(5)-triazatriphosphinin-2-yl)amino]pentanedioate | C54H96N9O24P3 | 详情 | 详情 | |
| (IV) | 50039 | dodecalithium (2S)-2-[(2,4,4,6,6-pentakis[[(1S)-1-carboxylato-4-oxido-4-oxobutyl]amino]-1,3,5,2lambda(5),4lambda(5),6lambda(5)-triazatriphosphinin-2-yl)amino]pentanedioate | C30H36Li12N9O24P3 | 详情 | 详情 | |
| (V) | 50040 | dimethyl (2S)-2-aminopentanedioate | C7H13NO4 | 详情 | 详情 | |
| (VI) | 50041 | dimethyl (2S)-2-[(2,4,4,6,6-pentakis[[(1S)-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl]amino]-1,3,5,2lambda(5),4lambda(5),6lambda(5)-triazatriphosphinin-2-yl)amino]pentanedioate | C42H72N9O24P3 | 详情 | 详情 | |
| (VII) | 50042 | C6H14I2N2Pt | 详情 | 详情 |