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2-Methoxyestradiol, NSC-659853, 2-ME, 2ME2, Panzem

2-甲氧基雌二醇Chemical Name: 2-Methoxyestra-1,3,5(10)-triene-3,17beta-diol
CAS No. 362-07-2
项目整合开发状态: Phase II
项目研究机构: Tetrionics (Supplier), EntreMed (Orphan Drug), Children's Hospital of Boston (Originator), Allergan (Licensee), EntreMed (Licensee), Elan (Formulation), Aventis Pharma (Codevelopment)
合成路线:Estradiol (I) was brominated employing either bromine in acetic acid,2,4,4,6-tetrabromocyclohexa-2,5-dienone,or N-bromosuccinimide to afford a mixture of 4-bromo (II) and 2-bromo (III) derivatives,which were separated by fractional crystallization.The target methoxy compound was then obtained by nucleophilic displacement of the bromide group from the 2-bromo isomer (III) by means of sodium methoxide in the presence of cuprous iodide and,optionally,a crown ether.

合成路线:In an alternative method,the hydroxyl group of estrone (V) was protected as the benzyl ether (VI),which was subsequently subjected to electrophilic nitration to yield selectively the 2-nitro derivative (VII).After reduction of (VII) to the corresponding amine (VIII),replacement of the amino for a methoxy group was performed by diazotization,followed by treatment with sodium methoxide,using Sandmeyer conditions.Finally hydrogenolysis of the O-benzyl protecting group,with simultaneous ketone reduction led to the desired 2-methoxy estradiol.
📌 参考资料/链接:
参考文献标题:Methods of obtaining 2-methoxyestradiol of high purity
文献作者:Shah,J.H.; Agoston,G.E.; Treston,A.M.(EntreMed,Inc.)
参考来源:WO 0114405

📄 详细内容


合成路线:Estradiol (I) was brominated employing either bromine in acetic acid,2,4,4,6-tetrabromocyclohexa-2,5-dienone,or N-bromosuccinimide to afford a mixture of 4-bromo (II) and 2-bromo (III) derivatives,which were separated by fractional crystallization.The target methoxy compound was then obtained by nucleophilic displacement of the bromide group from the 2-bromo isomer (III) by means of sodium methoxide in the presence of cuprous iodide and,optionally,a crown ether.

参考文献标题:A new synthetic route to 2-and 4-methoxyestradiols by nucleophilic substitution
文献作者:Chen,S.-H.; Luo,G.R.; Wu,X.S.; Chen,M.; Zhao,H.M.
参考来源:Steroids 1986,47(1),63


合成路线:In a related procedure,the known 2-iodoestradiol (IV),regioselectively obtained by iodination of (I),was displaced with either sodium or barium methoxide to give the title compound.In this case,cupric iodide was preferred as the reaction catalyst.

参考文献标题:Efficient synthesis of 2-methoxy- and 4-methoxy-estrogens
文献作者:Ogura,Y.; Numazawa,M.
参考来源:J Chem Soc Chem Commun 1983,(9),533


合成路线:In a related procedure,the known 2-iodoestradiol (IV),regioselectively obtained by iodination of (I),was displaced with either sodium or barium methoxide to give the title compound.In this case,cupric iodide was preferred as the reaction catalyst.

参考文献标题:Synthesis of 2-methoxy- and 4-methoxy-estrogens with halogen-methoxy exchange reactions
文献作者:Numazawa,M.; et al.
参考来源:J Chem Res Synop 1985,(11),348


合成路线:Formylation of estradiol (I) with hexamethylenetetraamine in refluxing trifluoroacetic acid gave the desired 2-formyl estradiol (XI) along with minor amounts of the 4-formyl isomer (X).Diol (XI) was then protected as the bis-benzyl ether (XII) by alkylation with benzyl bromide and NaH under phase-transfer conditions.Baeyer-Villiger oxidation of aldehyde (XII) with m-chloroperbenzoic acid provided phenol (XIII),wich was further alkylated with iodomethane to afford the methyl ether (XIV).The benzyl protecting groups were finally removed by catalytic hydrogenolysis.

参考文献标题:A versatile synthesis of 2-methoxyestradiol,an endogenous metabolite of estradiol which inhibits tubulin polymerization by binding the colchicine binding site
文献作者:Cushman,H.-M.; He,H.-M.
参考来源:Bioorg Med Chem Lett 2002,4(14),1725


合成路线:Formylation of estradiol (I) with hexamethylenetetraamine in refluxing trifluoroacetic acid gave the desired 2-formyl estradiol (XI) along with minor amounts of the 4-formyl isomer (X).Diol (XI) was then protected as the bis-benzyl ether (XII) by alkylation with benzyl bromide and NaH under phase-transfer conditions.Baeyer-Villiger oxidation of aldehyde (XII) with m-chloroperbenzoic acid provided phenol (XIII),wich was further alkylated with iodomethane to afford the methyl ether (XIV).The benzyl protecting groups were finally removed by catalytic hydrogenolysis.

参考文献标题:Synthesis,antitubulin and antimitotic activity,and cytotoxicity of analogs of 2-methoxyestradiol,an endogenous mammalian metabolite of estradiol that inhibits tubulin polymerization by binding to the colchicine binding site
文献作者:Cushman,M.; He,H.M.; Katzenellenbogen,J.A.; Lin,C.M.; Hamel,E.
参考来源:J Med Chem 1995,38(12),2041


合成路线:A similar synthetic strategy was used starting from the methoxymethyl-protected compound (XV).Baeyer-Villiger oxidation of the aldehyde function in the presence of phosphate buffer produced the formate ester (XVI),which was further hydrolyzed to phenol (XVII) under basic conditions.Methylation of phenol (XVII) with iodomethane employing a phase-transfer catalyst gave the methyl ether (XVIII).The methoxymethyl protecting groups were finally removed by acidic treatment.

参考文献标题:An optimized synthesis of 2-methoxyestradiol,a naturally occurring human metabolite with anticancer activity
文献作者:Cushman,M.; Wang,Z.
参考来源:Synth Commun 1998,28(23),4431


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