(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-oxobutyl stearate -Drug Synthesis Database

【结构式】

【分子编号】52977

【品名】(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-oxobutyl stearate

【CA登记号】

【分子式】C₂₈H₄₇N₅O₄

【分子量】517.71248

【元素组成】C 64.96% H 9.15% N 13.53% O 12.36%

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：(XXIX)

Acid hydrolysis of diethyl acetal (XXVIII) gave aldehyde (XXIX). Reduction of this to the corresponding alcohol (XXX) was carried out by using either NaBH4 or borane-tert-butylamine complex. Alcohol (XXX) was then coupled to the N-Cbz-valine anhydride, prepared from N-Cbz-valine (XVI) and DCC, to produce (XIII), which was finally deprotected by catalytic hydrogenation as above.

参考文献中间体

合成目标

【1】 Engelhardt, P.; Hoberg, M.; Zhou, X.-X.; Lindborg, B.; Johansson, N.G. (Medivir AB); Acyclic nucleoside derivs.. EP 0888348; JP 2000504720; JP 2000504721; US 5869493; WO 9730051; WO 9730052 .
【2】 Synthesis of acyclic nucleoside derivs.. WO 0008025 .
【3】 Synthesis of acyclic nucleoside derivs.. WO 9834917 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XIII)	52965	(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-[((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)oxy]butyl stearate	C₄₁H₆₄N₆O₇	详情	详情
(XVI)	18092	(2S)-2-[[(benzyloxy)carbonyl]amino]-3-methylbutyric acid	C₁₃H₁₇NO₄	详情	详情
(XXVIII)	52976	(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4,4-diethoxybutyl stearate	C₃₂H₅₇N₅O₅	详情	详情
(XXIX)	52977	(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-oxobutyl stearate	C₂₈H₄₇N₅O₄	详情	详情
(XXX)	52978	(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-hydroxybutyl stearate	C₂₈H₄₉N₅O₄	详情	详情

Extended Information