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【结 构 式】 
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【分子编号】19060 【品名】methyl (2S)-2-[([(2S,3aS,7aS)-1-[((2R,4S)-1-[(2S)-3-(benzyloxy)-2-[((2S)-2-[[2-([[(2S,4R)-4-(benzyloxy)pyrrolidinyl]carbonyl]amino)acetyl]amino]-3-phenylpropanoyl)amino]propanoyl]-4-propoxypyrrolidinyl)carbonyl]octahydro-1H-indol-2-yl]carbonyl)amino 【CA登记号】 |
【 分 子 式 】C64H84N10O13S 【 分 子 量 】1233.49656 【元素组成】C 62.32% H 6.86% N 11.36% O 16.86% S 2.6% |
合成路线1
该中间体在本合成路线中的序号：(XVI)Compound (X) was submitted to successive coupling cycles (deprotection with TFA, and coupling with DIPCDI) to introduce sequentially the following amino acids: (XIb), (XIII) and (XV) yielding the following resins: (XII),(XIV) and (XVI), respectively.
| 【1】 Kyle, D.J.; Hiner, R.N. (Scios Inc.); Bradykinin antagonist peptides. JP 1995504155; US 5385889 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIb) | 12874 | (2R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid; N-alpha-t-BOC-L-Phenylalanine | 13734-34-4 | C14H19NO4 | 详情 | 详情 |
| (X) | 19053 | methyl (2S)-2-([[(2S,3aS,7aS)-1-([(2R,4S)-1-[(2S)-2-amino-3-(benzyloxy)propanoyl]-4-propoxypyrrolidinyl]carbonyl)octahydro-1H-indol-2-yl]carbonyl]amino)-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoate | C41H59N7O9S | 详情 | 详情 | |
| (XII) | 19056 | methyl (2S)-2-([[(2S,3aS,7aS)-1-([(2R,4S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(benzyloxy)propanoyl]-4-propoxypyrrolidinyl]carbonyl)octahydro-1H-indol-2-yl]carbonyl]amino)-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentano | C50H68N8O10S | 详情 | 详情 | |
| (XIII) | 18066 | N-alpha-t-BOC-glycine; 2-[(tert-butoxycarbonyl)amino]acetic acid | 4530-20-5 | C7H13NO4 | 详情 | 详情 |
| (XIV) | 19058 | methyl (2S)-2-([[(2S,3aS,7aS)-1-([(2R,4S)-1-[(2S)-2-([(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino)-3-(benzyloxy)propanoyl]-4-propoxypyrrolidinyl]carbonyl)octahydro-1H-indol-2-yl]carbonyl]amino)-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoate | C52H71N9O11S | 详情 | 详情 | |
| (XV) | 19059 | (2R,4S)-4-(benzyloxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid | 54631-81-1 | C17H23NO5 | 详情 | 详情 |
| (XVI) | 19060 | methyl (2S)-2-[([(2S,3aS,7aS)-1-[((2R,4S)-1-[(2S)-3-(benzyloxy)-2-[((2S)-2-[[2-([[(2S,4R)-4-(benzyloxy)pyrrolidinyl]carbonyl]amino)acetyl]amino]-3-phenylpropanoyl)amino]propanoyl]-4-propoxypyrrolidinyl)carbonyl]octahydro-1H-indol-2-yl]carbonyl)amino | C64H84N10O13S | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(XVIII)Compound (XVIII) was submitted to successive coupling cycles (deprotection with TFA, and coupling with DIPCDI) to introduce sequentially the following amino acids: (XVII) and (XX) yielding the following resins: (XIX) and (XXI), respectively.
| 【1】 Kyle, D.J.; Hiner, R.N. (Scios Inc.); Bradykinin antagonist peptides. JP 1995504155; US 5385889 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XVII) | 19061 | (2R)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid; (2R)-1-(tert-butoxycarbonyl)tetrahydro-1H-pyrrole-2-carboxylic acid; N-alpha-t-BOC-D-proline | C10H17NO4 | 详情 | 详情 | |
| (XVIII) | 19060 | methyl (2S)-2-[([(2S,3aS,7aS)-1-[((2R,4S)-1-[(2S)-3-(benzyloxy)-2-[((2S)-2-[[2-([[(2S,4R)-4-(benzyloxy)pyrrolidinyl]carbonyl]amino)acetyl]amino]-3-phenylpropanoyl)amino]propanoyl]-4-propoxypyrrolidinyl)carbonyl]octahydro-1H-indol-2-yl]carbonyl)amino | C64H84N10O13S | 详情 | 详情 | |
| (XIX) | 19063 | methyl (2S)-2-[[((2S,3aS,7aS)-1-[[(2R,4S)-1-((2S)-3-(benzyloxy)-2-[[(2S)-2-([2-[([(2S,4R)-4-(benzyloxy)-1-[(2S)pyrrolidinylcarbonyl]pyrrolidinyl]carbonyl)amino]acetyl]amino)-3-phenylpropanoyl]amino]propanoyl)-4-propoxypyrrolidinyl]carbonyl]octahydro-1H-indol-2-yl)carbonyl]amino]-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoate | C69H91N11O14S | 详情 | 详情 | |
| (XX) | 19064 | (2S)-2-[(tert-butoxycarbonyl)amino]-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoic acid | C18H28N4O6S | 详情 | 详情 | |
| (XXI) | 19065 | methyl (2S)-2-([[(2S,3aS,7aS)-1-([(2R,4S)-1-[(2S)-2-[((2S)-2-[[2-([[(2S,4R)-1-[((2S)-1-[(2S)-2-amino-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoyl]pyrrolidinyl)carbonyl]-4-(benzyloxy)pyrrolidinyl]carbonyl]amino)acetyl]amino]-3-phe | C82H109N15O17S2 | 详情 | 详情 |