Raltegravir potassium, MK-518, L-900612, -Drug Synthesis Database

【结构式】

【药物名称】Raltegravir potassium, MK-518, L-900612

【化学名称】4-[N-(4-Fluorobenzyl)carbamoyl]-1-methyl-2-[1-methyl-1-(5-methyl-1,3,4-oxadiazol-2-ylcarboxamido)ethyl]-6-oxo-1,6-dihydropyrimidin- 5-olate potassium salt

【CA登记号】889131-29-7 (potassium salt), 871038-72-1 (monopotassium salt), 518048-05-0 (free base)

【分子式】C₂₀H₂₀FKN₆O₅

【分子量】482.5069

【开发单位】Merck & Co., Inc. (US).

【药理作用】HIV Integrase Inhibitor

合成路线1

参考文献中间体

【1】 Belyk, K.M., Morrison, H.G., Jones, P., Summa, V. (Merck & Co., Inc.; Istituto di Ricerche di Biologia Molecolare P. Angeletti S.p.A.). Potassium salt of an HIV integrase inhibitor. US 2006122205, WO 2006060712, WO 2006060730.
【2】 Drugs of the Future 2007, 32(2): 118-122
【1】 Belyk KM, Morrison HG, Jones P, et al. 2006. Potassium salt of an HIV integrase inhibitor. US 2006/0122205 A1 (Merck & Co Inc).
【2】 Kassahum K. 2006. Use of atazanavir for improving the pharmacokinetics of drugs metabolized by UGT1A1. WO 2006/060731 A2 (Merck & Co Inc).

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)	18029	Acetone cyanohydrin; 2-Hydroxy-2-methylpropanenitrile; 2-Hydroxy-2-methylpropionitrile; 2-Hydroxyisobutyronitrile; 2-Methyllactonitrile; alpha-Hydroxyisobutyronitrile	75-86-5	C₄H₇NO	详情	详情
(II)	18745	2-amino-2-methylpropanenitrile	19355-69-2	C₄H₈N₂	详情	详情
(III)	67372	benzyl (2-cyanopropan-2-yl)carbamate	100134-82-5	C₁₂H₁₄N₂O₂	详情	详情
(IV)	67373	(Z)-benzyl (1-amino-1-(hydroxyimino)-2-methylpropan-2-yl)carbamate		C₁₂H₁₇N₃O₃	详情	详情
(V)	67374	dimethyl 2-((Z)-(1-amino-2-(((benzyloxy)carbonyl)amino)-2-methylpropylidene)amino)maleate		C₁₈H₂₃N₃O₆	详情	详情
(VI)	67375	methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate		C₁₇H₁₉N₃O₆	详情	详情
(VII)	67376	methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate	888504-27-6	C₁₈H₂₁N₃O₆	详情	详情
(VIII)	67377	benzyl (2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)carbamate	518048-02-7	C₂₄H₂₅FN₄O₅	详情	详情
(IX)	67378	2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide	518048-03-8	C₁₆H₁₉FN₄O₃	详情	详情
(X)	67379	5-methyl-1,3,4-oxadiazole-2-carbonyl chloride		C₄H₃ClN₂O₂	详情	详情

Extended Information

Drug NewChemical Entity Original Patent(2)