5-[(2-{[4-({4-[(2-aminoacetyl)amino]benzoyl}amino)benzoyl]amino}acetyl)amino]-2,4,6-tribromo-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide -Drug Synthesis Database

【结构式】

【分子编号】56051

【品名】5-[(2-{[4-({4-[(2-aminoacetyl)amino]benzoyl}amino)benzoyl]amino}acetyl)amino]-2,4,6-tribromo-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide

【CA登记号】

【分子式】C₅₀H₇₀Br₃N₇O₂₆

【分子量】1424.84938

【元素组成】C 42.15% H 4.95% Br 16.82% N 6.88% O 29.19%

与该中间体有关的原料药合成路线共 2 条

合成路线1 合成路线2

合成路线1

该中间体在本合成路线中的序号：(XV)

Deprotection of the phthaloyl group of (XIV) by hydrazinolysis provided amine (XV). This was then coupled with the octaacid gadolinium chelate (V) in the presence of EDC and HOBt leading to the target amide.

参考文献中间体

合成目标

【1】 Port, M.; et al.; P792: A rapid clearance blood pool agent for magnetic resonance imaging: Preliminary results. MAGMA Magn Reson Mater Phys Biol Med 2001, 12, 2-3, 121.
【2】 Rousseaux, O.; Simonot, C. (Guerbet SA); Gadolinium complex tetramides and use in medical imaging. EP 1178975; FR 2793795; WO 0071526 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(V)	56044	gadolinium (2R)-2-{4,10-bis[(1R)-3-carboxy-1-carboxylatopropyl]-7-[(1R)-1-carboxy-4-hydroxy-4-oxobutyl]-1,4,7,10-tetraazacyclododecan-1-yl}-4-carboxybutanoate	C₂₈H₄₁GdN₄O₁₆	详情	详情
(XIV)	56050	2,4,6-tribromo-5-{[2-({4-[(4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoyl)amino]benzoyl}amino)acetyl]amino}-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide	C₅₈H₇₂Br₃N₇O₂₈	详情	详情
(XV)	56051	5-[(2-{[4-({4-[(2-aminoacetyl)amino]benzoyl}amino)benzoyl]amino}acetyl)amino]-2,4,6-tribromo-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide	C₅₀H₇₀Br₃N₇O₂₆	详情	详情

合成路线2

该中间体在本合成路线中的序号：(XV)

In a related synthetic route, the glycinamide derivative (XV) was coupled to acid (IV), and the resultant macrocyclic tetramide was subsequently complexed with GdCl3 to form the title gadolinium chelate.

参考文献中间体

合成目标

【1】 Port, M.; et al.; P792: A rapid clearance blood pool agent for magnetic resonance imaging: Preliminary results. MAGMA Magn Reson Mater Phys Biol Med 2001, 12, 2-3, 121.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IV)	56043	2-[4,10-bis(1-carboxy-4-hydroxy-4-oxobutyl)-7-(1,3-dicarboxypropyl)-1,4,7,10-tetraazacyclododecan-1-yl]pentanedioic acid		C₂₈H₄₄N₄O₁₆	详情	详情
(XV)	56051	5-[(2-{[4-({4-[(2-aminoacetyl)amino]benzoyl}amino)benzoyl]amino}acetyl)amino]-2,4,6-tribromo-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide		C₅₀H₇₀Br₃N₇O₂₆	详情	详情

Extended Information