(3S)-3-[((2S)-4-amino-2-{[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl)amino]-4-({(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-9-(hydroxymethyl)-6-[(1R)-3-h -Drug Synthesis Database

【结构式】

【分子编号】61989

【品名】(3S)-3-[((2S)-4-amino-2-{[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl)amino]-4-({(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-9-(hydroxymethyl)-6-[(1R)-3-h

【CA登记号】

【分子式】C₇₂H₁₀₁N₁₇O₂₆

【分子量】1620.69292

【元素组成】C 53.36% H 6.28% N 14.69% O 25.67%

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：(I)

The title compound is prepared by reductive alkylation of daptomycin (I) with 2 imidazolecarboxaldehyde (II) in the presence of NaBH(OAc)3 in DMF.

参考文献中间体

合成目标

【1】 Yu, X.Y.; et al.; Synthesis and biological activity of ornithine heterocyclic analogs of daptomycin. 42nd Intersci Conf Antimicrob Agents Chemother (Sept 27 2002, San Diego) 2002, Abst F-349.
【2】 Watson, A.D.; Hill, J.; Zhang, Y.; Finn, J.; Yu, X.Y.; Keith, D.; Morytko, M.; Parr, I.; Siedlecki, J.; Silverman, J.; Christensen, D.; Lazarova, T. (Cubist Pharmaceuticals, Inc.); Lipopeptides as antibacterial agents. WO 0144274 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	61989	(3S)-3-[((2S)-4-amino-2-{[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl)amino]-4-({(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-9-(hydroxymethyl)-6-[(1R)-3-h		C₇₂H₁₀₁N₁₇O₂₆	详情	详情
(II)	41148	1H-imidazole-2-carbaldehyde	10111-08-7	C₄H₄N₂O	详情	详情

Extended Information