9H-fluoren-9-ylmethyl (1S)-2-([(1R)-1-[[((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)amino]carbonyl]-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butyl]amino)-1-[4-(tert-butoxy)benzyl]-2-oxoethylcarbamate -Drug Synthesis Database

【结构式】

【分子编号】19039

【品名】9H-fluoren-9-ylmethyl (1S)-2-([(1R)-1-[[((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)amino]carbonyl]-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butyl]amino)-1-[4-(tert-butoxy)benzyl]-2-oxoethylcarbamate

【CA登记号】

【分子式】C₆₆H₈₀N₈O₁₀S

【分子量】1177.47512

【元素组成】C 67.32% H 6.85% N 9.52% O 13.59% S 2.72%

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：(X)

Compound (VII) is submitted to amino acid coupling and deprotection cycle with O-t-Bu-alpha-Fmoc-tyrosine (IX), to yield resin (XI). Finally, acidic treatment of (XI) with trifluoroacetic acid in anisole and dichloromethane simultaneously effects deprotection of the O-tert-butyl and N-2,2,5,7,8-pentamethylchroman-6-sulfonyl (Pmc) groups, and liberates the peptide amide from the resin.

参考文献中间体

合成目标

【1】 Brown, W.; DiMaio, J.; Schiller, P.; Martel, R. (AstraZeneca plc); Novel opioid peptides for the treatment of pain and use thereof. JP 1997509168; WO 9522557 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(VIII)	19037	(2R)-2-amino-N-((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide	C₃₈H₅₃N₇O₆S	详情	详情
(IX)	18858	(2S)-3-[4-(tert-butoxy)phenyl]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]propionic acid	C₂₈H₂₉NO₅	详情	详情
(X)	19039	9H-fluoren-9-ylmethyl (1S)-2-([(1R)-1-[[((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)amino]carbonyl]-4-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]butyl]amino)-1-[4-(tert-butoxy)benzyl]-2-oxoethylcarbamate	C₆₆H₈₀N₈O₁₀S	详情	详情
(XI)	19040	(2R)-N-((1S)-2-[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-1-benzyl-2-oxoethyl)-2-([(2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoyl]amino)-5-[(imino[[(2,2,5,7,8-pentamethyl-3,4,4a,8a-tetrahydro-2H-chromen-6-yl)sulfonyl]amino]methyl)amino]pentanamide	C₅₁H₇₀N₈O₈S	详情	详情

Extended Information