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【结 构 式】 
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【分子编号】39381 【品名】(2S)-2-([2-[(3S)-3-amino-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl]amino)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]pentanoic acid 【CA登记号】 |
【 分 子 式 】C25H32N6O6S2 【 分 子 量 】576.69792 【元素组成】C 52.07% H 5.59% N 14.57% O 16.65% S 11.12% |
合成路线1
该中间体在本合成路线中的序号：(XVIII)Construction of the peptide chain was carried out by solid phase synthesis on a Merrifield resin. The protected arginine bound to the resin (XV) was treated with trifluoroacetic to cleave the N-Boc group. The resulting NG-arginine-resin (XVI) was coupled with benzothiazepineacetic acid (X) by means of BOP reagent to produce (XVII). After deprotection of the Boc group of (XVII) with trifluoroacetic acid, further coupling with protected serine (XII) gave peptide resin (XIX). The Boc group of (XIX) was then deprotected with trifluoroacetic acid as above to furnish intermediate (XX).
| 【1】 Daffix, I.; Bergé, G.; Amblard, M.; et al.; Synthesis and characterization of bradykinin B2 receptor agonists containing constrained dipeptide mimics. J Med Chem 1999, 42, 20, 4193. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (X) | 39377 | 2-[(3S)-3-[(tert-butoxycarbonyl)amino]-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid | C17H22N2O5S | 详情 | 详情 | |
| (XII) | 16886 | (2S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propionic acid; N-alpha-t-BOC-o-benzyl-L-serine | 23680-31-1 | C15H21NO5 | 详情 | 详情 |
| (XV) | 39378 | (2S)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]-2-[(tert-butoxycarbonyl)amino]pentanoic acid | C18H28N4O6S | 详情 | 详情 | |
| (XVI) | 39379 | (2S)-2-amino-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]pentanoic acid | C13H20N4O4S | 详情 | 详情 | |
| (XVII) | 39380 | (2S)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]-2-([2-[(3S)-3-[(tert-butoxycarbonyl)amino]-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl]amino)pentanoic acid | C30H40N6O8S2 | 详情 | 详情 | |
| (XVIII) | 39381 | (2S)-2-([2-[(3S)-3-amino-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl]amino)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]pentanoic acid | C25H32N6O6S2 | 详情 | 详情 | |
| (XIX) | 39382 | (2S)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]-2-([2-[(3S)-3-([(2S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoyl]amino)-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl]amino)pentanoic acid | C40H51N7O10S2 | 详情 | 详情 | |
| (XX) | 39383 | (2S)-2-([2-[(3S)-3-[[(2S)-2-amino-3-(benzyloxy)propanoyl]amino]-8-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl]amino)-5-[(amino[[(4-methylphenyl)sulfonyl]imino]methyl)amino]pentanoic acid | C35H43N7O8S2 | 详情 | 详情 |