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【结 构 式】 
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【药物名称】AT-5015 【化学名称】8(S)-(Chloromethyl)-4-[3(R)-(hydroxymethyl)morpholin-4-yl]-6-[5-(7-methoxybenzofuran-2-ylcarboxamido)-1H-indol-2-ylcarbonyl]-2-(trifluoromethyl)-3,6,7,8-tetrahydrobenzo[1,2,-b:4,3-b']dipyrrole-1-carboxylic acid methyl ester 【CA登记号】211053-39-3, 211053-38-2 (undefined isomer) 【 分 子 式 】C39H33ClF3N5O10 【 分 子 量 】824.17356 |
【开发单位】Kyorin (Originator), Sagami (Originator) 【药理作用】ONCOLYTIC DRUGS, DNA-Damaging Drugs |
合成路线1
The known phenolic antibiotic (I) was treated with p-nitrophenyl chloroformate (II) in the presence of Et3N to give carbonate (III). Then, condensation of (III) with (R)-3-(hydroxymethyl)morpholine (IV) furnished the target carbamate.
| 【1】 Shimazawa, R.; Terashima, S.; Fukuda, Y.; Oomori, Y. (Kyorin Pharmaceutical Co., Ltd.; Sagami Chemical Research Center); Pyrroloindole derivs. and intermediates in producing the same. EP 0972775; JP 1998265473; US 6080859; WO 9832757 . |
| 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) | 41328 | methyl (8S)-8-(chloromethyl)-4-hydroxy-6-[(5-[[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino]-1H-indol-2-yl)carbonyl]-2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate | C33H24ClF3N4O7 | 详情 | 详情 | |
| (II) | 16605 | 4-Nitrophenyl chloroformate; 1-[(Chlorocarbonyl)oxy]-4-nitrobenzene | 7693-46-1 | C7H4ClNO4 | 详情 | 详情 |
| (III) | 41329 | methyl (8S)-8-(chloromethyl)-6-[(5-[[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino]-1H-indol-2-yl)carbonyl]-4-[[(4-nitrophenoxy)carbonyl]oxy]-2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate | C40H27ClF3N5O11 | 详情 | 详情 | |
| (IV) | 41330 | (3R)morpholinylmethanol | C5H11NO2 | 详情 | 详情 |
Extended Information