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【结 构 式】 
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【分子编号】47691 【品名】di(N,N-dibutyl-1-butanaminium) 1-([(2R,3S,4R,5R)-5-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl]methoxy)-3-(1H-imidazol-1-yl)-1,3-dioxo-1lambda(5),3lambda(5)-diphosphoxane-1,3-diolate 【CA登记号】 |
【 分 子 式 】C36H70N6O11P2 【 分 子 量 】824.933164 【元素组成】C 52.42% H 8.55% N 10.19% O 21.33% P 7.51% |
合成路线1
该中间体在本合成路线中的序号：(IV)INS-365 can be obtained by several different ways: 1) Dimerization of uridine-5'-monophosphate tributyl-ammonium salt (I) with bis(triethylammonium) pyrophosphate (II) by means of CDI, followed by purification by semipreparative ionexchange chromatography. 2) Reaction of uridine-5'-diphosphate (III) with CDI in DMF gives the corresponding adduct (IV), which is then condensed with more uridine-5'-diphosphate (III), affording INS-365 which is purified by chromatography as before. 3) Reaction of uridine-5'-triphosphate tributylammonium salt (V) with CDI in DMF gives the cyclic triphosphate (VI), which is then condensed with uridine-5'-monophosphate (I) in hot DMF to provide INS-365 which is purified by chromatography as before.
| 【1】 Redick, C.C.; Sims, I.F.; Rideout, J.L.; Shaver, S.R.; Douglass, J.G. III; Pendergast, W.; Yerxa, B.R.; Dougherty, R.W.; Synthesis and P2Y receptor activity of a series of uridine dinucleoside 5'-polyphosphates. Bioorg Med Chem Lett 2001, 11, 2, 157. |
| 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) | 47688 | C21H40N3O9P | 详情 | 详情 | ||
| (II) | 47689 | di(N,N-diethyl-1-ethanaminium) 1,3-dihydroxy-1,3-dioxo-1lambda(5),3lambda(5)-diphosphoxane-1,3-diolate | C12H34N2O7P2 | 详情 | 详情 | |
| (III) | 47690 | C33H68N4O12P2 | 详情 | 详情 | ||
| (IV) | 47691 | di(N,N-dibutyl-1-butanaminium) 1-([(2R,3S,4R,5R)-5-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl]methoxy)-3-(1H-imidazol-1-yl)-1,3-dioxo-1lambda(5),3lambda(5)-diphosphoxane-1,3-diolate | C36H70N6O11P2 | 详情 | 详情 | |
| (V) | 47692 | C45H96N5O15P3 | 详情 | 详情 | ||
| (VI) | 47693 | di(N,N-dibutyl-1-butanaminium) 6-([(2R,3S,4R,5R)-5-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl]methoxy)-2,4,6-trioxo-1,3,5,2lambda(5),4lambda(5),6lambda(5)-trioxatriphosphinane-2,4-diolate | C33H67N4O14P3 | 详情 | 详情 |