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【结 构 式】 
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【分子编号】47342 【品名】tert-butyl 2-[(7S,13S)-19-amino-13-[4-(tert-butoxy)benzyl]-2,5,8,11,14-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]acetate 【CA登记号】 |
【 分 子 式 】C33H44N6O8 【 分 子 量 】652.748 【元素组成】C 60.72% H 6.79% N 12.87% O 19.61% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(XIV)Compound (XII) was cyclized to (XIII) employing BOP and HOBt. The nitro group was then reduced to the corresponding amino derivative (XIV) by catalytic hydrogenation over Pd/C.
| 【1】 Park, H.S.; et al.; Protein surface recognition by synthetic receptors: A route to novel submicromolar inhibitors for alpha-chymotrypsin. J Am Chem Soc 1999, 121, 1, 8. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XII) | 47340 | 2-[(3-[(4S,10S)-10-amino-4-[4-(tert-butoxy)benzyl]-14,14-dimethyl-3,6,9,12-tetraoxo-13-oxa-2,5,8-triazapentadec-1-yl]-5-nitrobenzoyl)amino]acetic acid | C33H44N6O11 | 详情 | 详情 | |
| (XIII) | 47341 | tert-butyl 2-[(7S,13S)-13-[4-(tert-butoxy)benzyl]-19-nitro-2,5,8,11,14-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]acetate | C33H42N6O10 | 详情 | 详情 | |
| (XIV) | 47342 | tert-butyl 2-[(7S,13S)-19-amino-13-[4-(tert-butoxy)benzyl]-2,5,8,11,14-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]acetate | C33H44N6O8 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(XIV)Coupling of the cyclic peptide (XIV) with tetraacid chloride (XXVI) produced the corresponding tetraamide. The O-tert-butyl groups were then removed by treatment with trifluoroacetic acid to produce the title compound.
| 【1】 Lin, Q.; et al.; Protein surface recognition by synthetic receptors. NATO ASI Series. Series C: Mathematical and Physical Sciences 1999, 527, 197. |
| 【2】 Park, H.S.; et al.; Protein surface recognition by synthetic receptors: A route to novel submicromolar inhibitors for alpha-chymotrypsin. J Am Chem Soc 1999, 121, 1, 8. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIV) | 47342 | tert-butyl 2-[(7S,13S)-19-amino-13-[4-(tert-butoxy)benzyl]-2,5,8,11,14-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]acetate | C33H44N6O8 | 详情 | 详情 | |
| (XXVI) | 47353 | 25,26,27,28-tetrabutoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetracarbonyl tetrachloride | C48H52Cl4O8 | 详情 | 详情 |
Extended Information