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【结 构 式】 
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【药物名称】 【化学名称】[2aR-[2aalpha,4beta,4abeta,6beta,9alpha(2R,3S),11beta,12alpha,12aalpha,12balpha]]-12b-Acetoxy-12-benzoyloxy-4,6,11-trihydroxy-9-[2-hydroxy-4,4-dimethyl-3-(2-thienylcarboxamido)pentanoyloxy]-4a,8,13,13-tetramethyl-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benz[1,2-b]oxet-5-one 【CA登记号】 【 分 子 式 】C41H51NO13S 【 分 子 量 】797.92652 |
【开发单位】University of Kansas (Originator) 【药理作用】ONCOLYTIC DRUGS, Taxanes |
合成路线1
Amine (I) was acylated with 2-thiophenecarbonyl chloride (II) in a mixture of ethyl acetate and a saturated solution of NaHCO3 to give amide (III). Then, removal of both trichloroethoxycarbonyl protecting groups was effected by treatment with zinc dust in methanol and acetic acid to provide the title compound.
| 【1】 Ali, S.M.; et al.; Butitaxel analogues: Synthesis and structure-activity relationships. J Med Chem 1997, 40, 2, 236-241. |
| 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) | 18162 | (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetoxy)-15-[[(2R,3S)-3-amino-2-hydroxy-4,4-dimethylpentanoyl]oxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl | C42H51Cl6NO16 | 详情 | 详情 | |
| (II) | 14103 | 2-Thiophenecarbonyl chloride | 5271-67-0 | C5H3ClOS | 详情 | 详情 |
| (III) | 18164 | (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetoxy)-1-hydroxy-15-([(2R,3S)-2-hydroxy-4,4-dimethyl-3-[(2-thienylcarbonyl)amino]pentanoyl]oxy)-10,14,17,17-tetramethyl-11-oxo-9,12-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate | C47H53Cl6NO17S | 详情 | 详情 |