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【结 构 式】

【分子编号】19065

【品名】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

【CA登记号】

【 分 子 式 】C82H109N15O17S2

【 分 子 量 】1640.99036

【元素组成】C 60.02% H 6.7% N 12.8% O 16.57% S 3.91%

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:(XXI)

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

合成路线2

该中间体在本合成路线中的序号:(XXI)

Compound (XVIII) was submitted to a coupling cycle (deprotection with TFA, and coupling with DIPCDI) to introduce the following amino acid (XXII) yielding the resin (XXIII). The final peptide was liberated from the resin (XXIII) and simultaneously deprotected by treatment with anhydrous HF containing a 10% anisole, and was purified by HPLC over a C18 reverse phase column, using as eluent acetonitrile-water containing a 0.1% of TFA.

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
(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
(XXII) 19064 (2S)-2-[(tert-butoxycarbonyl)amino]-5-[(imino[[(4-methylphenyl)sulfonyl]amino]methyl)amino]pentanoic acid C18H28N4O6S 详情 详情
(XXIII) 19067 N-alpha-(tert-Butoxycarbonyl)-N-omega-tosyl-D-arginyl-(N-omega-tosyl)-L-arginyl-L-prolyl-(4(R)-benzyloxy)-L-prolyl-glycyl-L-phenylalanyl-(3-O-benzyl)-L-seryl-(4(R)-benzyloxy)-D-prolyl-(2S,3aS,7aS)-perhydroindol-2-ylcarbonyl-(N-omega-tosyl)-L-arginine methyl ester C100H135N19O22S3 详情 详情
Extended Information