tert-butyl (4S)-5-[[(1S)-4-(tert-butoxy)-1-([[2-([4-[4-([[(1S)-2-methoxy-2-oxo-1-([[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]methyl)ethyl]amino]sulfonyl)-3,5-dimethylphenoxy]butanoyl]amino)ethyl]amino]carbonyl)-4-oxobutyl]amino]-5-oxo-4-[(2-[4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetyl)amino]pentanoate -Drug Synthesis Database

【结构式】

【分子编号】51020

【品名】tert-butyl (4S)-5-[[(1S)-4-(tert-butoxy)-1-([[2-([4-[4-([[(1S)-2-methoxy-2-oxo-1-([[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]methyl)ethyl]amino]sulfonyl)-3,5-dimethylphenoxy]butanoyl]amino)ethyl]amino]carbonyl)-4-oxobutyl]amino]-5-oxo-4-[(2-[4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetyl)amino]pentanoate

【CA登记号】

【分子式】C₉₇H₁₃₇N₁₅O₂₀S

【分子量】1865.30988

【元素组成】C 62.46% H 7.4% N 11.26% O 17.15% S 1.72%

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：(XXVIII)

Coupling of (XXVII) with the macrocyclic tetraacetic acid tri-tert-butyl ester (XXII) produced amide (XXVIII). Basic hydrolysis of the methyl ester group of (XXVIII), followed by acidic cleavage of the remaining protecting groups, furnished intermediate (XXIV), which was finally complexed as above.

参考文献中间体

合成目标

【1】 Cheesman, E.H.; et al.; Nonpeptide vitronectin antagonists labeles with in-111 for imaging tumors. 222nd ACS Natl Meet (Aug 26 2001, Chicago) 2001, Abst MEDI 88.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XXII)	51014	2-[4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid	C₂₈H₅₂N₄O₈	详情	详情
(XXIV)	51016	(4S)-5-([(1S)-3-carboxy-1-[([2-[(4-[4-[([(1S)-1-carboxy-2-[([1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl]carbonyl)amino]ethyl]amino)sulfonyl]-3,5-dimethylphenoxy]butanoyl)amino]ethyl]amino)carbonyl]propyl]amino)-5-oxo-4-([2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl]oxy)pentanoic acid	C₅₇H₈₀N₁₄O₂₁S	详情	详情
(XXVII)	51019	tert-butyl (4S)-4-amino-5-[[(1S)-4-(tert-butoxy)-1-([[2-([4-[4-([[(1S)-2-methoxy-2-oxo-1-([[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]methyl)ethyl]amino]sulfonyl)-3,5-dimethylphenoxy]butanoyl]amino)ethyl]amino]carbonyl)-4-oxobutyl]amino]-5-oxopentanoate	C₆₉H₈₇N₁₁O₁₃S	详情	详情
(XXVIII)	51020	tert-butyl (4S)-5-[[(1S)-4-(tert-butoxy)-1-([[2-([4-[4-([[(1S)-2-methoxy-2-oxo-1-([[(1-[3-[(1-trityl-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl)carbonyl]amino]methyl)ethyl]amino]sulfonyl)-3,5-dimethylphenoxy]butanoyl]amino)ethyl]amino]carbonyl)-4-oxobutyl]amino]-5-oxo-4-[(2-[4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetyl)amino]pentanoate	C₉₇H₁₃₇N₁₅O₂₀S	详情	详情

Extended Information