(6S,9S,12S,15S)-6-isobutyl-9-[(1-methoxy-1H-indol-3-yl)methyl]-2,2,8,14,15-pentamethyl-12-[(2R)-2-methylhexyl]-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid -Drug Synthesis Database

【结构式】

【分子编号】26306

【品名】(6S,9S,12S,15S)-6-isobutyl-9-[(1-methoxy-1H-indol-3-yl)methyl]-2,2,8,14,15-pentamethyl-12-[(2R)-2-methylhexyl]-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid

【CA登记号】

【分子式】C₃₇H₅₉N₅O₈

【分子量】701.90436

【元素组成】C 63.31% H 8.47% N 9.98% O 18.24%

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：(XLIVI)

The condensation of tetrapeptide (XLVI) with tripeptide alcohol (XXXVIII) under modified Mitsunobu conditions furnished the linear heptadepsipeptide (XLVII). Removal of both Boc group and tert-butyl ester was accomplished by treatment with TFA at r.t. Finally, cyclization to the target compound was performed either with EDC and HOAt or with HATU and collidine.

参考文献中间体

合成目标

【1】 Boger, D.L.; et al.; Total synthesis of HUN-7293. J Am Chem Soc 1999, 121, 26, 6197.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XLIVI)	26306	(6S,9S,12S,15S)-6-isobutyl-9-[(1-methoxy-1H-indol-3-yl)methyl]-2,2,8,14,15-pentamethyl-12-[(2R)-2-methylhexyl]-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid	C₃₇H₅₉N₅O₈	详情	详情
(XXXVIII)	26299	tert-butyl (2S)-2-[((2S,4R)-2-[[(2S)-4-cyano-2-hydroxybutanoyl]amino]-4-methyloctanoyl)(methyl)amino]-4-methylpentanoate	C₂₅H₄₅N₃O₅	详情	详情
(XLVII)	26307	tert-butyl (6S,9S,12S,15S,18R,21S,24S)-18-(2-cyanoethyl)-6,24-diisobutyl-9-[(1-methoxy-1H-indol-3-yl)methyl]-2,2,8,14,15,23-hexamethyl-12,21-bis[(2R)-2-methylhexyl]-4,7,10,13,16,19,22-heptaoxo-3,17-dioxa-5,8,11,14,20,23-hexaazapentacosan-25-oate	C₆₂H₁₀₂N₈O₁₂	详情	详情

Extended Information