网站主页>>>项目整合精选>>>项目整合精选>>>Lamifiban, Ro-44-9883/023(mono HCl salt), Ro-44-9883/000, Ro-44-9883, Lamstat

Lamifiban, Ro-44-9883/023(mono HCl salt), Ro-44-9883/000, Ro-44-9883, Lamstat

醋酸,2-[[1-[(2S)-2-[[4-(氨基亚胺甲基)苯甲酰]氨基]-3-(4-羟基苯基)-1-氧丙基]-4-哌啶基]- 醋酸,2-[[1-[(2S)-2-[[4-(氨基亚胺甲基)苯甲酰]氨基]-3-(4-羟基苯基)-1-氧丙基]-4-哌啶基]氧]-盐酸盐(1:1) Chemical Name: 2-[1-[N-(4-Amidinobenzoyl)-L-tyrosyl]piperidin-4-yloxy]acetic acid
CAS No. 144412-49-7, 243835-65-6 (monoHCl)
项目整合开发状态: Phase III
项目研究机构: Roche (Originator)
合成路线:The acylation of 4-hydroxypiperidine (I) with benzyl chloroformate (II) by means of triethylamine in dichloromethane gives 4-hydroxypiperidine-1-carboxylic acid benzyl ester (III),which is condensed with tert-butyl bromoacetate (IV) by means of tetrabutylammonium hydrogensulfate and NaOH in toluene/water,affording 2-[1-(benzyloxycarbonyl)piperidin-4-yloxy]acetic acid tert-butyl ester (V).The deprotection of (V) by hydrogenation with H2 over Pd/C in ethanol gives the piperidine (VI),which is condensed with N-(benzyloxycarbonyl)-4-O-tert-butyl-L-tyrosine (VII) by means of 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT) and N-methylmorpholine (NMM) in dichloromethane,yielding the expected condensation product (VIII).The deprotection of the amino group of (VIII) by hydrogenation as before affords (IX),which is N-acylated with 4-amidinobenzoyl chloride (X),prepared by reaction of 4-amidinobenzoic acid (XI) with SOCl2,giving the bis-tert-butylated product (XII).Finally,this compound is deprotected by means of trifluoroacetic acid in dichloromethane.
📌 参考资料/链接:
参考文献标题:N-acyl-alpha-aminoacids derivs.
文献作者:Alig,L.; Hadvary,P.; H鼁eler,M.; M黮ler,M.; Steiner,B.; Weller,T.(F.Hoffmann-La Roche AG)
参考来源:EP 0505868; JP 1993148204; US 5378712; US 5545658; US 5658928; US 5670515; US 5747522

📄 详细内容


合成路线:The acylation of 4-hydroxypiperidine (I) with benzyl chloroformate (II) by means of triethylamine in dichloromethane gives 4-hydroxypiperidine-1-carboxylic acid benzyl ester (III),which is condensed with tert-butyl bromoacetate (IV) by means of tetrabutylammonium hydrogensulfate and NaOH in toluene/water,affording 2-[1-(benzyloxycarbonyl)piperidin-4-yloxy]acetic acid tert-butyl ester (V).The deprotection of (V) by hydrogenation with H2 over Pd/C in ethanol gives the piperidine (VI),which is condensed with N-(benzyloxycarbonyl)-4-O-tert-butyl-L-tyrosine (VII) by means of 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT) and N-methylmorpholine (NMM) in dichloromethane,yielding the expected condensation product (VIII).The deprotection of the amino group of (VIII) by hydrogenation as before affords (IX),which is N-acylated with 4-amidinobenzoyl chloride (X),prepared by reaction of 4-amidinobenzoic acid (XI) with SOCl2,giving the bis-tert-butylated product (XII).Finally,this compound is deprotected by means of trifluoroacetic acid in dichloromethane.

合成路线:2) The reaction of 4-hydroxypiperidine (VII) with benzyl chloroformate (VIII) by means of triethylamine in dichloromethane gives the expected benzyloxycarbonyl derivative (IX),which is condensed with tert-butyl 2-bromoacetate (X) by means of tetrabutylammonium bisulfate and NaOH,yielding 2-[1-(benzyloxycarbonyl)piperidin-4-yloxy]acetic acid tert-butyl ester (XI).The deprotection of (XI) as ususal affords 2-(4-piperidinyloxy)acetic acid tert-butyl ester (XII),which is condensed with N-(benzyloxycarbonyl)-L-alanine (XIII) by means of 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT) and N-methyl-morpholine (NMM) in dichloromethane to yield the acylated piperidine (XIV).The deprotection of (XIV) as usual affords compound (XV),which is acylated at the free amino group with 4-cyanobenzoyl chloride (V) and tetrabutylammonium bisulfate to give 2-[1-[N-(4-cyanobenzoyl)-L-alanyl]piperidin-4-yloxy]acetic acid tert-butyl ester (XVI).The reaction of the cyano group of (XVI) with hydroxylamine affords compound (XVII) with a hydroxyamidino substituent.Finally,the tert-butyl ester group of (XVII) is converted in ethyl ester by hydrolysis with hot fomic acid to the corresponding acetic acid (XVIII) and subsequent esterification with ethanol/H2SO4.

参考文献标题:Low molecular weight,non-peptide fibrinogen receptor antagonists
文献作者:Alig,L.; Edenhofer,A.; Hadv醨y,P.; H黵zeler,M.; Knopp,D.; M黮ler,M.; Steiner,B.; Trzeciak,A.; Weller,T.
参考来源:J Med Chem 1992,35(23),4393


合成路线:The acylation of 4-hydroxypiperidine (I) with benzyl chloroformate (II) by means of triethylamine in dichloromethane gives 4-hydroxypiperidine-1-carboxylic acid benzyl ester (III),which is condensed with tert-butyl bromoacetate (IV) by means of tetrabutylammonium hydrogensulfate and NaOH in toluene/water,affording 2-[1-(benzyloxycarbonyl)piperidin-4-yloxy]acetic acid tert-butyl ester (V).The deprotection of (V) by hydrogenation with H2 over Pd/C in ethanol gives the piperidine (VI),which is condensed with N-(benzyloxycarbonyl)-4-O-tert-butyl-L-tyrosine (VII) by means of 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT) and N-methylmorpholine (NMM) in dichloromethane,yielding the expected condensation product (VIII).The deprotection of the amino group of (VIII) by hydrogenation as before affords (IX),which is N-acylated with 4-amidinobenzoyl chloride (X),prepared by reaction of 4-amidinobenzoic acid (XI) with SOCl2,giving the bis-tert-butylated product (XII).Finally,this compound is deprotected by means of trifluoroacetic acid in dichloromethane.
参考文献标题:Lamifiban
文献作者:Castar,J.; Merlos,M.; Cases,A.; Rabasseda,X.
参考来源:Drugs Fut 1999,24(3),261


产品链接: CAS No. 144412-49-7››

产品链接: CAS No.243835-65-6››