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 -Drug Synthesis Database

【结构式】

【分子编号】19058

【品名】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

【CA登记号】

【分子式】C₅₂H₇₁N₉O₁₁S

【分子量】1030.2558

【元素组成】C 60.62% H 6.95% N 12.24% O 17.08% S 3.11%

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：(XIV)

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.

参考文献中间体

合成目标

【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

Extended Information