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【结 构 式】 
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【分子编号】56834 【品名】(2S)-2-({4-[(8aR)-5-amino-1,7,8,8a-tetrahydro-3-oxa-2,4,6,7,8b-pentaazacyclopenta[bc]acenaphthylen-2(2aH)-yl]benzoyl}amino)pentanedioic acid 【CA登记号】 |
【 分 子 式 】C20H21N7O6 【 分 子 量 】455.43032 【元素组成】C 52.75% H 4.65% N 21.53% O 21.08% |
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：(XXVa)The cyclic orthoamide (XXVa-b) was prepared from either the diastereomeric mixture of 5,10-methenyl-(6R,S)-tetrahydrofolic acids (IIa-b) or from calcium (6R,S)-folinate (Ia-b) in a formic acid/ammonium formate buffer at a pH of 2.3. After isolation of the pure (6S) diastereoisomer (XXV) by repeated recrystallization from aqueous formic acid, the orthoamide function was hydrolyzed employing a buffered solution of tris(hydroxymethyl)aminomethane at a pH of 7.3 to furnish the title compound.
| 【1】 Marazza, F.; Melera, A.; Viterbo, R.; Diastereoisomeric cpds. derived from tetrahydrofolic acid, process for their preparation and use in the synthesis of diastereoisomers 6S and 6R of reduced folates. FR 2659330; US 5239074; WO 9113890 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (Ia) | 56811 | calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate | C20H21CaN7O7 | 详情 | 详情 | |
| (Ib) | 56812 | calcium (2S)-2-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate | C20H21CaN7O7 | 详情 | 详情 | |
| (IIa) | 56813 | (6aS)-3-amino-8-[4-({[(1S)-1,3-dicarboxypropyl]amino}carbonyl)phenyl]-1-oxo-1H,4H,5H,6H,6aH,7H,8H-imidazo[1,5-f]pteridin-10-ium | C20H22N7O6 | 详情 | 详情 | |
| (IIb) | 56814 | (6aR)-3-amino-8-[4-({[(1S)-1,3-dicarboxypropyl]amino}carbonyl)phenyl]-1-oxo-1H,4H,5H,6H,6aH,7H,8H-imidazo[1,5-f]pteridin-10-ium | C20H22N7O6 | 详情 | 详情 | |
| (XXVa) | 56834 | (2S)-2-({4-[(8aR)-5-amino-1,7,8,8a-tetrahydro-3-oxa-2,4,6,7,8b-pentaazacyclopenta[bc]acenaphthylen-2(2aH)-yl]benzoyl}amino)pentanedioic acid | C20H21N7O6 | 详情 | 详情 | |
| (XXVb) | 56835 | (2S)-2-({4-[(8aS)-5-amino-1,7,8,8a-tetrahydro-3-oxa-2,4,6,7,8b-pentaazacyclopenta[bc]acenaphthylen-2(2aH)-yl]benzoyl}amino)pentanedioic acid | C20H21N7O6 | 详情 | 详情 |
Extended Information