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CAS 104-94-9

1-Amino-4-methoxybenzene4-Methoxyphenylamine4-methoxyaniline

登记编号:(II)101438-4-a、(II)101438-13-a、(II)101438-70-a、Imipenem-015、(II)140605-24-a、POSA-041

应用背景(按来源药适应症)

乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate细菌性肺炎亚胺西瑞医院获得性肺炎亚胺西瑞传染性疾病亚胺西瑞菌血症亚胺西瑞呼吸机相关性肺炎亚胺西瑞医疗保健相关性肺炎亚胺西瑞膀胱癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)头颈癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)头颈部鳞状细胞癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)实体瘤多西他赛纳米胶束 (Samyang Biopharmaceuticals)念珠菌病泊沙康唑曲霉菌属感染泊沙康唑真菌感染泊沙康唑口腔念珠菌病泊沙康唑球孢菌病泊沙康唑组织胞浆菌病泊沙康唑胰腺癌紫杉醇非小细胞肺癌紫杉醇霍奇金病紫杉醇精原细胞瘤紫杉醇卵巢癌紫杉醇乳腺癌紫杉醇细菌感染亚胺培南淋病亚胺培南炭疽杆菌感染亚胺培南非小细胞肺癌多西他赛(贝海生物)前列腺癌多西他赛(贝海生物)去势抵抗性前列腺肿瘤多西他赛(贝海生物)乳腺癌多西他赛(贝海生物)头颈癌多西他赛(贝海生物)头颈部鳞状细胞癌多西他赛(贝海生物)

来源药(使用该中间体的合成路线)

品种梯队到期年
Paclitaxel/Encequidar mesylateTier C · 观察 / 贸易-
亚胺西瑞Cilastatin Sodium/Imipenem/RelebactamTier C · 观察 / 贸易-
多西他赛纳米胶束 (Samyang Biopharmaceuticals)Docetaxel polymeric micelle (Samyang Biopharmaceuticals)Tier C · 观察 / 贸易-
泊沙康唑PosaconazoleTier C · 观察 / 贸易-
紫杉醇PaclitaxelTier B · 提前布局-
亚胺培南ImipenemTier C · 观察 / 贸易-
多西他赛(贝海生物)Docetaxel (Beihai)Tier 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。

Paclitaxel/Encequidar mesylate优化路线步数:9总收率:/
(3-Bromophenyl)formaldehyde→1-Amino-4-methoxybenzene→(NZ)-N-[(3-bromophenyl)methylidene]-4-methoxyaniline→(2-Chloranyl-2-oxidanylideneethyl) ethanoate→alpha-Chlorobenzaldehyde→(2S,3R)-2-(3-bromophenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl acetate→(2S,3R)-2-(3-bromophenyl)-4-oxoazetidin-3-yl acetate→(3R,4S)-4-(3-bromophenyl)-3-hydroxyazetidin-2-one→(3R,4S)-4-(3-bromophenyl)-3-[(triethylsilyl)oxy]azetidin-2-one→(3R,4S)-1-benzoyl-4-(3-bromophenyl)-3-[(triethylsilyl)oxy]azetidin-2-one→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Bis(acetyloxy)-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-(3-bromophenyl)-3-(phenylformamido)-2-[(triethylsilyl)oxy]propanoyl]oxy}-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-(3-bromophenyl)-2-hydroxy-3-(phenylformamido)propanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-benzamido-2-hydroxy-3-(3-tritiophenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
亚胺西瑞优化路线步数:9总收率:/
4-Methoxyphenylamine→1-Amino-4-fluorobenzene→4-Bromophenylamine→4-Ethoxyphenylamine→omega-Bromoacetophenone→Chloroacetyl chloride→2-Iodo-1-(3-methoxyphenyl)ethanone→1-Bromo-3,3-dimethylbutan-2-one<-fgf->→2-[(4-Methoxyphenyl)amino]-1-phenylethanone→1-[(4-Methoxyphenyl)amino]acetone→1-[(4-Fluorophenyl)amino]acetone→2-[(4-Bromophenyl)amino]-1-(3-methoxyphenyl)ethanone→1-[(4-Ethoxyphenyl)amino]-3,3-dimethylbutan-2-one→(3S)-4-Benzoyl-3-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxy]ethyl]-1-(4-methoxyphenyl)azetidin-2-one→(3S)-4-Acetyl-3-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxy]ethyl]-1-(4-methoxyphenyl)azetidin-2-one→(3S)-4-Acetyl-3-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxy]ethyl]-1-(4-fluorophenyl)azetidin-2-one→(3S)-1-(4-Bromophenyl)-3-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-(3-methoxybenzoyl)azetidin-2-one→(3S)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-4-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)azetidin-2-one→(2R,3R)-3-Methyloxirane-2-carboxylic acid→L-Threonine→(2R,3R)-N-(4-Methoxyphenyl)-3-methyl-N-(2-oxo-2-phenylethyl)oxirane-2-carboxamide→(2R,3R)-N-(4-Methoxyphenyl)-3-methyl-N-(2-oxopropyl)oxirane-2-carboxamide→(2R,3R)-N-(4-Fluorophenyl)-3-methyl-N-(2-oxopropyl)oxirane-2-carboxamide→(2R,3R)-N-(4-Bromophenyl)-N-[2-(3-methoxyphenyl)-2-oxoethyl]-3-methyloxirane-2-carboxamide→(2R,3R)-N-(3,3-Dimethyl-2-oxobutyl)-N-(4-ethoxyphenyl)-3-methyloxirane-2-carboxamide→(3S)-4-Benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one→(3S)-4-Acetyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one→(3S)-4-Acetyl-1-(4-fluorophenyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one→(3S)-1-(4-Bromophenyl)-3-[(1R)-1-hydroxyethyl]-4-(3-methoxybenzoyl)azetidin-2-one→(3S)-4-(2,2-Dimethylpropanoyl)-1-(4-ethoxyphenyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one→(1E)-1-[(4-Methoxyphenyl)imino]acetone→S-Pyridin-2-yl (3R)-3-[[tert-butyl(dimethyl)silyl]oxy]butanethioate→(2R,3R)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl acetate→(2R,3R)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl acetate→(2R,3R)-1-(4-Bromophenyl)-3-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-oxoazetidin-2-yl acetate→(2R,3R)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-1-(4-ethoxyphenyl)-4-oxoazetidin-2-yl acetate→(2S,3S)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylic acid→(2R,3R)-3-[(1R)-1-[[tert-Butyl(dimethyl)silyl]oxy]ethyl]-4-oxoazetidin-2-yl acetate

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