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【结 构 式】 
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【分子编号】33758 【品名】methyl (2S)-2-[(butoxycarbonyl)amino]-3-[[2-((5S)-3-[4-[imino(methoxy)methyl]phenyl]-4,5-dihydro-5-isoxazolyl)acetyl]amino]propanoate 【CA登记号】 |
【 分 子 式 】C22H30N4O7 【 分 子 量 】462.50296 【元素组成】C 57.13% H 6.54% N 12.11% O 24.22% |
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：(XV)Coupling of (R)-acid (XI) with (S)-aminoester (VI) employing either BOP or TBTU gave rise to amide (XIV). Conversion of the nitrile group of (XIV) to imidate (XV), followed by reaction with ammonium carbonate in MeOH afforded amidine (XVI). Finally, the methyl ester group of (XVI) was hydrolyzed by means of LiOH in aqueous methanol.
| 【1】 Wityak, J.; Sielecki, T.M.; Xue, C.-B.; et al.; Discovery of an orally active series of isoxazoline glycoprotein IIb/IIIa antagonists. J Med Chem 1997, 40, 13, 2064-84. |
| 【2】 Wityak, J.; Xue, C.-B.; Sielecki-Dzurdz, T.M.; Olson, R.E.; Degrado, W.F.; Cain, G.A. (DuPont Pharmaceuticals Co.); Novel isoxazoline and isoxazole fibrinogen receptor antagonists. EP 0730590; EP 0832076; JP 1997505590; JP 1999504651; US 5849736; WO 9514683; WO 9638426 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VI) | 25097 | methyl (2S)-3-amino-2-[(butoxycarbonyl)amino]propanoate | C9H18N2O4 | 详情 | 详情 | |
| (XI) | 33754 | 2-[(5S)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetic acid | C12H10N2O3 | 详情 | 详情 | |
| (XIV) | 33757 | methyl (2S)-2-[(butoxycarbonyl)amino]-3-([2-[(5S)-3-(4-cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetyl]amino)propanoate | C21H26N4O6 | 详情 | 详情 | |
| (XV) | 33758 | methyl (2S)-2-[(butoxycarbonyl)amino]-3-[[2-((5S)-3-[4-[imino(methoxy)methyl]phenyl]-4,5-dihydro-5-isoxazolyl)acetyl]amino]propanoate | C22H30N4O7 | 详情 | 详情 | |
| (XVI) | 33759 | methyl (2S)-3-[[2-((5S)-3-[4-[amino(imino)methyl]phenyl]-4,5-dihydro-5-isoxazolyl)acetyl]amino]-2-[(butoxycarbonyl)amino]propanoate | C21H29N5O6 | 详情 | 详情 |
Extended Information