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【结 构 式】 
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【分子编号】63681 【品名】tert-butyl (2S)-3-({[7-({[(benzylamino)carbonyl]amino}methyl)-4-oxo-4H-quinolizin-2-yl]carbonyl}amino)-2-[(phenylsulfonyl)amino]propanoate 【CA登记号】 |
【 分 子 式 】C32H35N5O7S 【 分 子 量 】633.7254 【元素组成】C 60.65% H 5.57% N 11.05% O 17.67% S 5.06% |
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：(XII)Selective deprotection of the N-Boc group of (IX) is accomplished by means of trifluoroacetic acid in CH2Cl2 at 0 C. The resultant primary amine (X) is then coupled to benzyl isocyanate (XI) to furnish urea (XII). Then, acidic cleavage of the tert-butyl ester group of (XII) leads to the title carboxylic acid (1,2).
| 【1】 Rej, R.; Lamothe, S.; Zacharie, B.; Labrecque, D.; Courchesne, M.; Falardeau, G.; Abbot, S.; Wang, W.; Chan, L.; Meerovitch, K.; Bergeron, F.; Attardo, G.; Synthesis and in vitro potency of quinolizinone-based alphavbeta3 receptor antagonists. Proc Am Assoc Cancer Res 2002, 43. |
| 【2】 Attardo, G.; Lamothe, S.; Rej, R.; Zacharie, B.; Falardeau, G.; Labrecque, D.; Courchesne, M.; Abbott, S. (Shire BioChem Inc.); Quinolizinones as integrin inhibitors. EP 1115724; US 6630488; WO 0017197 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 63679 | tert-butyl (2S)-3-{[(7-{[(tert-butoxycarbonyl)amino]methyl}-4-oxo-4H-quinolizin-2-yl)carbonyl]amino}-2-[(phenylsulfonyl)amino]propanoate | C29H36N4O8S | 详情 | 详情 | |
| (X) | 63680 | tert-butyl (2S)-3-({[7-(aminomethyl)-4-oxo-4H-quinolizin-2-yl]carbonyl}amino)-2-[(phenylsulfonyl)amino]propanoate | C24H28N4O6S | 详情 | 详情 | |
| (XI) | 16730 | 1-(Isocyanatomethyl)benzene; Benzyl Isocyanate | 3173-56-6 | C8H7NO | 详情 | 详情 |
| (XII) | 63681 | tert-butyl (2S)-3-({[7-({[(benzylamino)carbonyl]amino}methyl)-4-oxo-4H-quinolizin-2-yl]carbonyl}amino)-2-[(phenylsulfonyl)amino]propanoate | C32H35N5O7S | 详情 | 详情 |
Extended Information