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Cefcanel daloxate hydrochloride, KY-109

头孢卡奈达酯 Chemical Name: (6R,7R)-7beta-[2(R)-(S-Alanyloxy)-2-phenylacetamido]-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester; (5-Methyl-1,3-dioxolen-2-on-4-ylmethyl) 7-[D-O-(L-alanyl)mandelamido]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]-3-cephem-4-carboxylate hydrochloride; (5-Methyl-2-oxo-1,3-dioxo-4-yl)methyl (6R,7R)-7-[(R)-2-[(S)-alanyloxy]-2-phenylacetamido]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride; L-Alanine [6R-[6alpha,7beta(R*)]]-2-[[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-1-phenylethyl ester monohydrochloride; 2,3-Dihydroxy-2-butenyl (6R,7R)-7-[(R)-mandelamido]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,cyclic-2,3-carbonate,ester with L-alanine monohydrochloride
CAS No. 92602-21-6, 97275-40-6 (free base)
项目整合开发状态: Phase III
项目研究机构: Kyoto Pharmaceutical (Originator), AstraZeneca (Licensee)
合成路线:3) The reaction of the 7-aminocephem derivative (VI) with ethyl acetoacetate (IX) at room temperature gives the 3-aminocrotonate derivative (X),which is esterified with dioxolone (II) as before yielding the ester derivative (XI).The acidic (HCl) hydrolysis of (XI) in methanol-dichloromethane affords the 7-aminocephem derivative (XII) ,which is finally condensed with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of dicyclohexylcarbodiimide (DCC) in dichloromethane to yield the protected product (V),already obtained.
📌 参考资料/链接:
参考文献标题:Cephalosporin cpds.
文献作者:Nishizawa,S.; Tamaki,S.; Kakeya,N.; Kitao,K.(Kyoto Pharmaceutical Industries,Ltd.)
参考来源:WO 8505360

📄 详细内容


合成路线:1) The esterification of 7-[(R)-mandelamido]-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (KY-087; I) with 4-bromomethyl-5-methyl-1,3-dioxol-2-one (II) by means of potassium acetate in DMF gives the corresponding ester (KY-106; III),which is condensed with tert-butoxycarbonyl-L-alanine (IV) by means of dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMP) in dichloromethane affording the protected final product (V).Finally,this compound is deprotected with HCl in methanol-acetone.

合成路线:2) The reaction of 7-amino-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (VI) with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of triethylamine in THF gives the corresponding amide (VIII),which is then esterified with dioxolone (II) as before to afford the protected product (V),already obtained.

合成路线:3) The reaction of the 7-aminocephem derivative (VI) with ethyl acetoacetate (IX) at room temperature gives the 3-aminocrotonate derivative (X),which is esterified with dioxolone (II) as before yielding the ester derivative (XI).The acidic (HCl) hydrolysis of (XI) in methanol-dichloromethane affords the 7-aminocephem derivative (XII) ,which is finally condensed with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of dicyclohexylcarbodiimide (DCC) in dichloromethane to yield the protected product (V),already obtained.

参考文献标题:KY-109,A new bifunctional pro-drug of a cephalosporin.Chemistry,physico-chemical and biological properties
文献作者:Kakeya,N.; Nishizawa,S.; Nishimura,K.; Yoshimi,A.; Tamaki,S.; Mori,T.; Kitao,K.
参考来源:J Antibiot 1985,38(3),380-9


合成路线:1) The esterification of 7-[(R)-mandelamido]-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (KY-087; I) with 4-bromomethyl-5-methyl-1,3-dioxol-2-one (II) by means of potassium acetate in DMF gives the corresponding ester (KY-106; III),which is condensed with tert-butoxycarbonyl-L-alanine (IV) by means of dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMP) in dichloromethane affording the protected final product (V).Finally,this compound is deprotected with HCl in methanol-acetone.

合成路线:2) The reaction of 7-amino-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (VI) with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of triethylamine in THF gives the corresponding amide (VIII),which is then esterified with dioxolone (II) as before to afford the protected product (V),already obtained.

合成路线:3) The reaction of the 7-aminocephem derivative (VI) with ethyl acetoacetate (IX) at room temperature gives the 3-aminocrotonate derivative (X),which is esterified with dioxolone (II) as before yielding the ester derivative (XI).The acidic (HCl) hydrolysis of (XI) in methanol-dichloromethane affords the 7-aminocephem derivative (XII) ,which is finally condensed with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of dicyclohexylcarbodiimide (DCC) in dichloromethane to yield the protected product (V),already obtained.

参考文献标题:CEFCANEL DALOXATE HYDROCHLORIDE < Prop INNM >
文献作者:Prous,J.; Castar,J.
参考来源:Drugs Fut 1989,14(1),13


合成路线:1) The esterification of 7-[(R)-mandelamido]-3-(5-methyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid (KY-087; I) with 4-bromomethyl-5-methyl-1,3-dioxol-2-one (II) by means of potassium acetate in DMF gives the corresponding ester (KY-106; III),which is condensed with tert-butoxycarbonyl-L-alanine (IV) by means of dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMP) in dichloromethane affording the protected final product (V).Finally,this compound is deprotected with HCl in methanol-acetone.

参考文献标题:Antibiotic amino acid derivatives of cephalosporins.
文献作者:Kaneya,N.; Nishizawa,S.; Tamaki,S.; Kitao,K.(Kyoto Pharmaceutical Industries,Ltd.)
参考来源:JP 59116292; US 4605651; WO 8401949


合成路线:3) The reaction of the 7-aminocephem derivative (VI) with ethyl acetoacetate (IX) at room temperature gives the 3-aminocrotonate derivative (X),which is esterified with dioxolone (II) as before yielding the ester derivative (XI).The acidic (HCl) hydrolysis of (XI) in methanol-dichloromethane affords the 7-aminocephem derivative (XII) ,which is finally condensed with 2-O-(tert-butoxycarbonyl-L-alanyl)mandelic acid (VII) by means of dicyclohexylcarbodiimide (DCC) in dichloromethane to yield the protected product (V),already obtained.
参考文献标题:Production of cephalosporin compounds.
文献作者:Nishizawa,S.; et al.(Kyoto Pharmaceutical Industries,Ltd.)
参考来源:JP 85034975


产品链接: CAS No. 92602-21-6››

产品链接: CAS No.97275-40-6››