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【结 构 式】 
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【分子编号】14758 【品名】2-[[2-[(carboxymethyl)([3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl)amino]ethyl]([3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl)amino]acetic acid 【CA登记号】 |
【 分 子 式 】C22H32N4O14P2 【 分 子 量 】638.462164 【元素组成】C 41.39% H 5.05% N 8.78% O 35.08% P 9.7% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(VI)The condensation of pyridoxal 5-phosphate (I) with ethylenediamine (II) in methanol by means of NaOH gives the corresponding diimine (III), which is reduced with hydrogen over Pt/C in methanol/water yielding the expected diamine (IV). The reaction of (IV) with bromoacetic acid (V) by means of NaOH in methanol/water affords the N,N'-diacetic acid derivative (VI), which is finally treated with MnCl2 in water containing NaOH.
| 【1】 Rocklage, S.M.; Cacheris, W.P.; Quay, S.C.; Hahn, F.E.; Raymond, K.N.; Manganese(II) N,N'-dipyridoxylethylenediamine-N,N'-diacetate 5,5'-bis(phosphate). Synthesis and characterization of a paramagnetic chelate for magnetic resonance imaging enhancement. Inorg Chem 1989, 28, 477-85. |
| 【2】 Graul, A.; Leeson, P.; Castaner, J.; Mangafodipir Trisodium. Drugs Fut 1997, 22, 9, 974. |
| 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) | 14753 | Pyridoxal 5'-phosphate; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate | 54-47-7 | C8H10NO6P | 详情 | 详情 |
| (II) | 14754 | ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine | 107-15-3 | C2H8N2 | 详情 | 详情 |
| (III) | 14759 | [5-hydroxy-4-[([2-[((E)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylidene)amino]ethyl]imino)methyl]-6-methyl-3-pyridinyl]methyl dihydrogen phosphate | C18H24N4O10P2 | 详情 | 详情 | |
| (IV) | 14756 | [5-hydroxy-4-[([2-[([3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl)amino]ethyl]amino)methyl]-6-methyl-3-pyridinyl]methyl dihydrogen phosphate | C18H28N4O10P2 | 详情 | 详情 | |
| (V) | 23660 | 2-Bromoacetic acid | 79-08-3 | C2H3BrO2 | 详情 | 详情 |
| (VI) | 14758 | 2-[[2-[(carboxymethyl)([3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl)amino]ethyl]([3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl)amino]acetic acid | C22H32N4O14P2 | 详情 | 详情 |
Extended Information