tert-butyl (1S)-1-[({(1S,2S,3R)-1-benzyl-2-hydroxy-4-[((1S)-1-{[(2-hydroxy-4-methoxybenzyl)amino]carbonyl}-2-methylpropyl)amino]-4-oxo-3-[(3,4,5-trimethoxybenzyl)amino]butyl}amino)carbonyl]-2,2-dimethylpropylcarbamate -Drug Synthesis Database

【结构式】

【分子编号】62787

【品名】tert-butyl (1S)-1-[({(1S,2S,3R)-1-benzyl-2-hydroxy-4-[((1S)-1-{[(2-hydroxy-4-methoxybenzyl)amino]carbonyl}-2-methylpropyl)amino]-4-oxo-3-[(3,4,5-trimethoxybenzyl)amino]butyl}amino)carbonyl]-2,2-dimethylpropylcarbamate

【CA登记号】

【分子式】C₄₅H₆₅N₅O₁₁

【分子量】852.0382

【元素组成】C 63.44% H 7.69% N 8.22% O 20.66%

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：(IX)

Coupling of N-Boc-L-tert-leucine (VIII) to amine (VII) in the presence of TPTU gives rise to amide (IX). After acidic Boc group cleavage in (IX), the resultant amine (X) is finally acylated by 1-naphthylacetic acid (XI) to furnish the title compound.

参考文献中间体

合成目标

【1】 Lang, M.; Zimmermann, J.; Furet, P.; Garcia-Echeverria, C.; Imbach, P. (Novartis AG; Novartis Pharma GmbH); 2-Amino-3-hydroxy-4-tert-leucyl-amino-5-phenyl-pentanoic acid amide derivs.. EP 1290012; US 2003166572; WO 0189282 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(VII)	62786	(2R,3R,4S)-4-amino-3-hydroxy-N-((1S)-1-{[(2-hydroxy-4-methoxybenzyl)amino]carbonyl}-2-methylpropyl)-5-phenyl-2-[(3,4,5-trimethoxybenzyl)amino]pentanamide		C₃₄H₄₆N₄O₈	详情	详情
(VIII)	22251	(2S)-2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutyric acid;2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoic acid;N-(tert-butoxycarbonyl)-3-methyl-L-valine	62965-35-9	C₁₁H₂₁NO₄	详情	详情
(IX)	62787	tert-butyl (1S)-1-[({(1S,2S,3R)-1-benzyl-2-hydroxy-4-[((1S)-1-{[(2-hydroxy-4-methoxybenzyl)amino]carbonyl}-2-methylpropyl)amino]-4-oxo-3-[(3,4,5-trimethoxybenzyl)amino]butyl}amino)carbonyl]-2,2-dimethylpropylcarbamate		C₄₅H₆₅N₅O₁₁	详情	详情
(X)	62788	(2R,3S,4S)-4-{[(2S)-2-amino-3,3-dimethylbutanoyl]amino}-3-hydroxy-N-((1S)-1-{[(2-hydroxy-4-methoxybenzyl)amino]carbonyl}-2-methylpropyl)-5-phenyl-2-[(3,4,5-trimethoxybenzyl)amino]pentanamide		C₄₀H₅₇N₅O₉	详情	详情
(XI)	51133	Planofix; alpha-Naphthylacetic acid; 1-Naphthaleneacetic acid; 1-Naphthylacetic acid; alpha-Naphthaleneacetic acid; Naphthalene-1-acetic acid	86-87-3	C₁₂H₁₀O₂	详情	详情

Extended Information