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CAS 79411-15-7

(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-23-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[1(R)-hydroxyethyl]-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone

登记编号:ANID-007

应用背景(按来源药适应症)

念珠菌病阿尼芬净念珠菌血症阿尼芬净真菌感染阿尼芬净腹膜炎阿尼芬净脓肿阿尼芬净呼吸道感染阿尼芬净

来源药(使用该中间体的合成路线)

品种梯队到期年
阿尼芬净AnidulafunginTier C · 观察 / 贸易-

合成路线中的位置(上下游链)

按路线登记顺序排列,左→右为合成方向;高亮为当前 CAS,其余可点击跳转对应档案。

阿尼芬净原研路线步数:4总收率:/
4-bromo-4'-(pentyloxy)-1,1'-biphenyl→methyl 4-iodobenzoate→methyl 4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxylate→4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxylic acid→2,4,5-trichlorophenol→2,4,5-trichlorophenyl 4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxylate→(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone
阿尼芬净Route 2步数:3总收率:7.6kg (Anidulafungin)
2-(4-(pentyloxy)phenyl)-1,3,2-dioxaborolane→4'-iodo-[1,1'-biphenyl]-4-carboxylic acid→4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxylic acid→(1H-benzo[d][1,2,3]triazol-1-yl)(4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-yl)methanone→(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone
阿尼芬净优化路线步数:6总收率:/
阿尼芬净工艺路线步数:4总收率:7.6kg (Anidulafungin)
2-[4-Pentyloxyphenyl]-1,3,2-dioxaborolane→4-(4-Iodophenyl)benzoic acid→1H-1,2,3-Benzotriazol-1-ol→1-(4''-(Pentyloxy)-p-terphenyl-4-ylcarbonyloxy)-1H-benzotriazole→(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-23-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[1(R)-hydroxyethyl]-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone→4'-(Pentyloxy)biphenyl-4-ylboronic acid→Methyl 4-iodobenzoate→4''-(Pentyloxy)-p-terphenyl-4-carboxylic acid
阿尼芬净优化路线步数:2总收率:100mg (Anidulafungin)

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Qualified Partner — East China API Works4-(4'-Pentoxy-4-biphenylyl)benzoic acid
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Unibest Nantong cGMP Site1-(Diphenylmethyl)-3-hydroxyazetidine
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