480848, SB-480848

达普拉缔Chemical Name: N-[2-(Diethylamino)ethyl]-2-[2-(4-fluorobenzylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-y]-N-[4'-(trifluoromethyl)-1,1'-biphenyl-4-ylmethyl]acetamide
CAS No. 356057-34-6, 356057-36-8 (mono HCl salt)
项目整合开发状态: Phase II
项目研究机构: GlaxoSmithKline (Originator), Human Genome Sciences (Originator)
合成路线:Condensation between ethyl 2-oxocyclopentanecarboxylate (I) and thiourea (II) gives rise to the thiouracil derivative (III) (1,2).This is then alkylated with 4-fluorobenzyl chloride (IV) to yield thioether (V).Subsequent alkylation of (V) with tert-butyl iodoacetate (VI) furnishes adduct (VII).Further acidic cleavage of the tert-butyl ester group of (VII) leads to carboxylic acid (VIII) (2,3).Alternatively,intermediate (VIII) is prepared by alkylation of (V) with triflate (IX),followed by alkaline hydrolysis of the resultant methyl ester (X)

合成路线:Suzuki coupling between 4-bromobenzaldehyde (XI) and 4-trifluoromethylbenzeneboronic acid (XII) affords the biphenylyl aldehyde (XIII).This is then reductively aminated with N,N-diethylethylenediamine (XIV) and NaBH4 to produce diamine (XV) (1,3).Finally,coupling between amine (XV) and carboxylic acid (VIII) leads to the title carboxamide
📌 参考资料/链接:
参考文献标题:Pyrimidine-4-one derivs.as LDL-PLA 2 inhibitors
文献作者:Ife,R.J.; Leach,C.A.; Hickey,D.M.B.; Pinto,I.L.; Smith,S.A.; Stanway,S.J.(GlaxoSmithKline plc)
参考来源:EP 1263740; JP 2003523335; US 2002103213; US 6649619; WO 0160805

📄 详细内容


合成路线:Condensation between ethyl 2-oxocyclopentanecarboxylate (I) and thiourea (II) gives rise to the thiouracil derivative (III) (1,2).This is then alkylated with 4-fluorobenzyl chloride (IV) to yield thioether (V).Subsequent alkylation of (V) with tert-butyl iodoacetate (VI) furnishes adduct (VII).Further acidic cleavage of the tert-butyl ester group of (VII) leads to carboxylic acid (VIII) (2,3).Alternatively,intermediate (VIII) is prepared by alkylation of (V) with triflate (IX),followed by alkaline hydrolysis of the resultant methyl ester (X)

合成路线:Suzuki coupling between 4-bromobenzaldehyde (XI) and 4-trifluoromethylbenzeneboronic acid (XII) affords the biphenylyl aldehyde (XIII).This is then reductively aminated with N,N-diethylethylenediamine (XIV) and NaBH4 to produce diamine (XV) (1,3).Finally,coupling between amine (XV) and carboxylic acid (VIII) leads to the title carboxamide

参考文献标题:Novel processes
文献作者:Mulholland,K.R.; Ross,A.R.; Smith,G.E.; Slater,G.R.(GlaxoSmithKline plc)
参考来源:WO 0316287


合成路线:Condensation between ethyl 2-oxocyclopentanecarboxylate (I) and thiourea (II) gives rise to the thiouracil derivative (III) (1,2).This is then alkylated with 4-fluorobenzyl chloride (IV) to yield thioether (V).Subsequent alkylation of (V) with tert-butyl iodoacetate (VI) furnishes adduct (VII).Further acidic cleavage of the tert-butyl ester group of (VII) leads to carboxylic acid (VIII) (2,3).Alternatively,intermediate (VIII) is prepared by alkylation of (V) with triflate (IX),followed by alkaline hydrolysis of the resultant methyl ester (X)

合成路线:Suzuki coupling between 4-bromobenzaldehyde (XI) and 4-trifluoromethylbenzeneboronic acid (XII) affords the biphenylyl aldehyde (XIII).This is then reductively aminated with N,N-diethylethylenediamine (XIV) and NaBH4 to produce diamine (XV) (1,3).Finally,coupling between amine (XV) and carboxylic acid (VIII) leads to the title carboxamide
参考文献标题:The identification of clinical candidate SB-480848: A potent inhibitor of lipoprotein-associated phospholipase A2
文献作者:Blackie,J.A.; Bloomer,J.C.; Brown,M.J.B.; Cheng,H.-Y.; Hammond,B.; Hickey,D.M.B.; Ife,R.J.; Leach,C.A.; Lewis,V.A.; Macphee,C.H.; Milliner,K.J.; Moores,K.E.; Pinto,I.L.; Smith,S.A.; Stansfield,I.G.; Stanway,S.J.; Taylor,M.A.; et al.
参考来源:Bioorg Med Chem Lett 2003,13(6),1067


产品链接: CAS No. 356057-34-6››