2-({2-({4-[({2-{[(E)-(dimethylamino)methylidene]amino}-4-[(4-nitrophenethyl)oxy]-6-pteridinyl}methyl)amino]benzoyl}amino)-5-[(2-hydroxyethyl)amino]-5-oxopentanoyl}amino)ethyl acetate -Drug Synthesis Database

【结构式】

【分子编号】59037

【品名】2-({2-({4-[({2-{[(E)-(dimethylamino)methylidene]amino}-4-[(4-nitrophenethyl)oxy]-6-pteridinyl}methyl)amino]benzoyl}amino)-5-[(2-hydroxyethyl)amino]-5-oxopentanoyl}amino)ethyl acetate

【CA登记号】

【分子式】C₃₆H₄₃N₁₁O₉

【分子量】773.80616

【元素组成】C 55.88% H 5.6% N 19.91% O 18.61%

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：(VIII)

Partial hydrolysis of diacetate (VII) by means of ethanolamine, followed by reprotection with DMF-DEA, affords the desired mono-hydrolyzed compound (VIII), along with other by-products that are separated by column chromatography. Phosphitylation of alcohol (VIII) with cyanoethyl N,N-diisopropylphosphonamidic chloride furnishes the activated phosphoramidite (IX).

参考文献中间体

合成目标

【1】 Frank, A.; Karn, H.; Spanig, H. (Abbott GmbH & Co. KG); Production of 1-hydroxyalkyl-5-nitroimidazoles. DE 2359625; FR 2253019; GB 1481349 .
【2】 Frank, A.; Dockner, T.; Karn, H. (Abbott GmbH & Co. KG); Process for the preparation of 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole of high purity. EP 0150407 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(VII)	59036	2-{[5-{[2-(acetyloxy)ethyl]amino}-2-({4-[({2-{[(E)-(dimethylamino)methylidene]amino}-4-[(4-nitrophenethyl)oxy]-6-pteridinyl}methyl)amino]benzoyl}amino)-5-oxopentanoyl]amino}ethyl acetate	C₃₈H₄₅N₁₁O₁₀	详情	详情
(VIII)	59037	2-({2-({4-[({2-{[(E)-(dimethylamino)methylidene]amino}-4-[(4-nitrophenethyl)oxy]-6-pteridinyl}methyl)amino]benzoyl}amino)-5-[(2-hydroxyethyl)amino]-5-oxopentanoyl}amino)ethyl acetate	C₃₆H₄₃N₁₁O₉	详情	详情
(IX)	59038	16-cyano-13-(diisopropylamino)-5-({4-[({2-{[(E)-(dimethylamino)methylidene]amino}-4-[(4-nitrophenethyl)oxy]-6-pteridinyl}methyl)amino]benzoyl}amino)-4,8-dioxo-12,14-dioxa-3,9-diaza-13-phosphahexadec-1-yl acetate	C₄₅H₆₀N₁₃O₁₀P	详情	详情

Extended Information