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Batimastat, ISV-615, ISV-120, BB-94

巴马司他 巴马司他单钠盐 Chemical Name: 3(S)-(N-Hydroxycarbamoyl)-2(R)-isobutyl-4-(2-thienylthio)butyryl-L-phenylalanine methylamide; (2S,3R)-5-Methyl-3-[[(alphaS)-alpha-(methylcarbamoyl)phenethyl]carbamoyl]-2-[(2-thienylthio)methyl]hexanohydroxamic acid
CAS No. 130370-60-4, 130464-84-5 (monoNa salt)
项目整合开发状态: Phase II
项目研究机构: Vernalis (Originator), InSite Vision (Licensee), Biocompatibles (Codevelopment)
合成路线:The treatment of D-leucine (I) with NaNO2,H2SO4 and NaBr gives 2(R)-bromo-5-methylpentanoic acid (II),which is esterified with isobutene and H2SO4 to the corresponding tert-butyl ester (III).The condensation of (III) with dibenzyl malonate (IV) by means of potassium tert-butoxide in DMF yields the malonyl derivative (V),which is treated with trifluoroacetic acid to hydrolyze the tert-butyl ester,and without isolation is condensed with L-phenylalanine methyl amide (VI) by means of hydroxybenzotriazole (HOBT) and dicyclohexylcarbodiimide (DCC),affording 4-benzyloxy-3-(benzyloxycarbonyl)-2(R)-isobutylsuccinyl-L-phenylalanine methylamide (VII).The elimination of the benzyl groups of (VII) by hydrogenolysis over Pd/C in ethanol gives the dicarboxylic acid (VIII),which by partial decarboxylation and reaction with aqueous formaldehyde and piperidine yields 4-hydroxy-2(R)-isobutyl-3-methylenesuccinyl-L-phenylalanine methylamide (IX).The addition of thiophene-2-thiol (X) to the double bond of (IX) affords 4-hydroxy-2(R)-isobutyl-3(S)-(2-thienylsulfanylmethyl)succinyl-L-phenylalanine methylamide (XI),which is finally treated with hydroxylamine and hydroxybenzotriazole in dichloromethane/DMF.
📌 参考资料/链接:
参考文献标题:Hydroxamic acid based collagenase inhibitors
文献作者:Campion,C.; Davidson,A.H.; Dickens,J.P.; Crimmin,M.J.(British Biotech plc)
参考来源:US 5240958; US 5310763; WO 9005719

📄 详细内容


合成路线:The treatment of D-leucine (I) with NaNO2,H2SO4 and NaBr gives 2(R)-bromo-5-methylpentanoic acid (II),which is esterified with isobutene and H2SO4 to the corresponding tert-butyl ester (III).The condensation of (III) with dibenzyl malonate (IV) by means of potassium tert-butoxide in DMF yields the malonyl derivative (V),which is treated with trifluoroacetic acid to hydrolyze the tert-butyl ester,and without isolation is condensed with L-phenylalanine methyl amide (VI) by means of hydroxybenzotriazole (HOBT) and dicyclohexylcarbodiimide (DCC),affording 4-benzyloxy-3-(benzyloxycarbonyl)-2(R)-isobutylsuccinyl-L-phenylalanine methylamide (VII).The elimination of the benzyl groups of (VII) by hydrogenolysis over Pd/C in ethanol gives the dicarboxylic acid (VIII),which by partial decarboxylation and reaction with aqueous formaldehyde and piperidine yields 4-hydroxy-2(R)-isobutyl-3-methylenesuccinyl-L-phenylalanine methylamide (IX).The addition of thiophene-2-thiol (X) to the double bond of (IX) affords 4-hydroxy-2(R)-isobutyl-3(S)-(2-thienylsulfanylmethyl)succinyl-L-phenylalanine methylamide (XI),which is finally treated with hydroxylamine and hydroxybenzotriazole in dichloromethane/DMF.

参考文献标题:Matrix metalloproteinase inhibitors in the treatment of rheumatoid arthritis and cancer
文献作者:Beckett,R.P.; Crimmin,M.J.; Galloway,W.A.
参考来源:205th ACS Natl Meet (March 28-April 2,Denver) 1993,Abst MEDI 147


合成路线:The treatment of D-leucine (I) with NaNO2,H2SO4 and NaBr gives 2(R)-bromo-5-methylpentanoic acid (II),which is esterified with isobutene and H2SO4 to the corresponding tert-butyl ester (III).The condensation of (III) with dibenzyl malonate (IV) by means of potassium tert-butoxide in DMF yields the malonyl derivative (V),which is treated with trifluoroacetic acid to hydrolyze the tert-butyl ester,and without isolation is condensed with L-phenylalanine methyl amide (VI) by means of hydroxybenzotriazole (HOBT) and dicyclohexylcarbodiimide (DCC),affording 4-benzyloxy-3-(benzyloxycarbonyl)-2(R)-isobutylsuccinyl-L-phenylalanine methylamide (VII).The elimination of the benzyl groups of (VII) by hydrogenolysis over Pd/C in ethanol gives the dicarboxylic acid (VIII),which by partial decarboxylation and reaction with aqueous formaldehyde and piperidine yields 4-hydroxy-2(R)-isobutyl-3-methylenesuccinyl-L-phenylalanine methylamide (IX).The addition of thiophene-2-thiol (X) to the double bond of (IX) affords 4-hydroxy-2(R)-isobutyl-3(S)-(2-thienylsulfanylmethyl)succinyl-L-phenylalanine methylamide (XI),which is finally treated with hydroxylamine and hydroxybenzotriazole in dichloromethane/DMF.
参考文献标题:Batimastat
文献作者:Ngo,J.; Graul,A.; Castar,J.
参考来源:Drugs Fut 1996,21(12),1215


产品链接: CAS No. 130370-60-4››

产品链接: CAS No.130464-84-5››