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【结 构 式】 
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【分子编号】52057 【品名】S-[2-(2-[2-[((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]tetrahydro-2H-pyran-2-yl)oxy]ethoxy]ethoxy)ethyl] ethanethioate 【CA登记号】 |
【 分 子 式 】C20H36O14S 【 分 子 量 】532.56344 【元素组成】C 45.11% H 6.81% O 42.06% S 6.02% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(XIII)Basic hydrolysis of the acetate ester groups of (XI) provided the fully deprotected disaccharide glycoside (XII). The chloro group of (XII) was then displaced with potassium thioacetate to furnish the intermediate thioester (XIII).
| 【1】 Yu, L.; Jack, R.M.; Jones, D. (La Jolla Pharmaceutical Co.); Conjugates comprising galactose alpha 1,3 galactosyl epitopes and methods of using same. EP 1137652; WO 0034296 . |
| 【2】 Jones, D.S.; Engle, S.B.; Yu, L.; Jack, R.M. (La Jolla Pharmaceutical Co.); Methods and formulations for reducing circulating antibodies. WO 0033887 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XI) | 52055 | (2R,3S,4S,5R,6S)-5-(acetoxy)-2-[(acetoxy)methyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]tetrahydro-2H-pyran-3-yl acetate | C24H39ClO16 | 详情 | 详情 | |
| (XII) | 52056 | (2R,3R,4S,5R,6R)-2-[[(2S,3R,4S,5S,6R)-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | C18H33ClO13 | 详情 | 详情 | |
| (XIII) | 52057 | S-[2-(2-[2-[((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]tetrahydro-2H-pyran-2-yl)oxy]ethoxy]ethoxy)ethyl] ethanethioate | C20H36O14S | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(XIII)Finally, the corresponding thiol, liberated in situ from thioacetate ester (XIII), was condensed with the octa chloro derivative (XVII) to furnish the title compound.
| 【1】 Yu, L.; Jack, R.M.; Jones, D. (La Jolla Pharmaceutical Co.); Conjugates comprising galactose alpha 1,3 galactosyl epitopes and methods of using same. EP 1137652; WO 0034296 . |
| 【2】 Jones, D.S.; Engle, S.B.; Yu, L.; Jack, R.M. (La Jolla Pharmaceutical Co.); Methods and formulations for reducing circulating antibodies. WO 0033887 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIII) | 52057 | S-[2-(2-[2-[((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]tetrahydro-2H-pyran-2-yl)oxy]ethoxy]ethoxy)ethyl] ethanethioate | C20H36O14S | 详情 | 详情 | |
| (XVII) | 52061 | (23S)-11-(2-[[6-([(2S)-2,6-bis[(2-chloroacetyl)amino]hexanoyl]amino)hexanoyl]amino]ethyl)-30-chloro-23-[(2-chloroacetyl)amino]-10,15,22,29-tetraoxo-3,6,9-trioxa-11,14,21,28-tetraazatriacont-1-yl bis(2-[[6-([(2S)-2,6-bis[(2-chloroacetyl)amino]hexanoyl]amino)hexanoyl]amino]ethyl)carbamate | C80H136Cl8N18O22 | 详情 | 详情 |
Extended Information