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【结 构 式】 
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【分子编号】68484 【品名】2,2'-(ethane-1,2-diylbis(oxy))diacetic acid;2,2'-[1,2-ethanediylbis(oxy)]bis-Acetic acid;(Ethylenedioxy)diacetic acid;1,2-Bis(carboxymethoxy)ethane;2,5-Dioxa-1,6-hexanedicarboxylic acid;3,6-Dioxaoctane-1,8-dioic acid;3,6-Dioxaoctanedioic acid;Ethylenebis(glycolic acid);[2-(Carboxymethoxy)ethoxy]acetic acid 【CA登记号】23243-68-7 |
【 分 子 式 】C6H10O6 【 分 子 量 】178.1418 【元素组成】C 40.45% H 5.66% O 53.89% |
合成路线1
该中间体在本合成路线中的序号：(II)GMI-1070 is prepared by condensation of 8-amino-1,3,6-naphthalenetrisulfonic acid (I) with ethylene bis(glycolic acid) (II) by means of HATU and DIEA in DMF to afford the mono amide (III), which is finally coupled with the primary amine (IV) [prepared by condensation of methyl ester (V) with ethylenediamine (VI) at 70°C] by means of HATU and DIEA in DMF .
| 【1】 Magnani, J.L., Patton, J.T. Jr., Sarkar, A.K., Svarovsky, S.A., Ernst, B. (GlycoMimetics, Inc.). Heterobifunctional pan-selectin inhibitors. EP 1934236, EP 2264043, JP 2009507031, US 2007054870, US 7728117, WO 2007028050. |
| 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) | 68483 | 8-amino-1,3,6-naphthalenetrisulfonic acid；1-Aminonaphthalene-3,6,8-trisulfonic acid | 117-42-0 | C10H9NO9S3 | 详情 | 详情 |
| (II) | 68484 | 2,2'-(ethane-1,2-diylbis(oxy))diacetic acid;2,2'-[1,2-ethanediylbis(oxy)]bis-Acetic acid;(Ethylenedioxy)diacetic acid;1,2-Bis(carboxymethoxy)ethane;2,5-Dioxa-1,6-hexanedicarboxylic acid;3,6-Dioxaoctane-1,8-dioic acid;3,6-Dioxaoctanedioic acid;Ethylenebis(glycolic acid);[2-(Carboxymethoxy)ethoxy]acetic acid | 23243-68-7 | C6H10O6 | 详情 | 详情 |
| (III) | 68485 | 2-(2-(2-oxo-2-((3,6,8-trisulfonaphthalen-1-yl)amino)ethoxy)ethoxy)acetic acid | C16H17NO14S3 | 详情 | 详情 | |
| (IV) | 68487 | C42H59N5O18 | 详情 | 详情 | ||
| (V) | 68486 | (2R)-2-(((2S,3S,4R,5R,6S)-2-(((1S,3R,5S)-5-((2-aminoethyl)carbamoyl)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-2-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-3-(benzoyloxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3-cyclohexylpropanoic acid | C41H55N3O19 | 详情 | 详情 | |
| (VI) | 14754 | ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine | 107-15-3 | C2H8N2 | 详情 | 详情 |