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CAS 95603-44-4
(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
Codes: (V)140605-4-a, (II)140605-12-a, (V)140605-13-a, (II)140605-23-a, (V)140605-30-a, CABA-005
Application context (from source-drug indications)
Bladder cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck squamous cell carcinomaDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Solid tumourDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Non-small cell lung cancerDocetaxel （Beihai）Prostate cancerDocetaxel （Beihai）Castration-resistant prostate cancerDocetaxel （Beihai）Breast cancerDocetaxel （Beihai）Head and neck cancerDocetaxel （Beihai）Head and neck squamous cell carcinomaDocetaxel （Beihai）Prostate cancerCabazitaxelAdenocarcinomaCabazitaxel食管胃结合部肿瘤CabazitaxelGastric cancerCabazitaxel生殖细胞和胚胎肿瘤Cabazitaxel睾丸肿瘤Cabazitaxel
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Docetaxel polymeric micelle (Samyang Biopharmaceuticals) | Tier C — Watch / trade | - |
| Docetaxel （Beihai） | Tier C — Watch / trade | - |
| Cabazitaxel | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
3-Phenyl-2-propenoic acid methyl ester→methyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate→methyl (2R,3R)-3-phenyloxirane-2-carboxylate→(2R,3R)-3-phenyloxirane-2-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis({[(2,2,2-trichloroethoxy)carbonyl]oxy})-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl (2R,3R)-3-phenyloxirane-2-carboxylate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-azido-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis({[(2,2,2-trichloroethoxy)carbonyl]oxy})-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(Acetyloxy)-15-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate
3(S)-(tert-Butoxycarbonylamino)-2(R)-hydroxy-3-phenylpropionic acid methyl ester→1-(Dimethoxymethyl)naphthalene→(2R,4S,5R)-2-(Naphthalen-1-yl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-(naphthalen-1-yl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→3,5-Oxazolidinedicarboxylic acid, 2-(1-naphthalenyl)-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, (2R,4S,5R)-→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(2R,4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1-hydroxy-9-oxo-2-[(phenylcarbonyl)oxy]-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10-trihydroxy-9-oxo-2-[(phenylcarbonyl)oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
2-(2-Nitrophenyl)acetic acid→(2-Nitrophenyl)acetyl chloride→(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoic acid→(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-[2-(2-nitrophenyl)acetoxy]-3-phenylpropanoic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-[2-(2-nitrophenyl)acetoxy]-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
3-Phenyl-2-propenoic acid methyl ester→methyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate→methyl (2R,3R)-3-phenyloxirane-2-carboxylate→(2R,3R)-3-phenyloxirane-2-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis({[(2,2,2-trichloroethoxy)carbonyl]oxy})-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl (2R,3R)-3-phenyloxirane-2-carboxylate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-azido-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis({[(2,2,2-trichloroethoxy)carbonyl]oxy})-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(Acetyloxy)-15-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate
3(S)-(tert-Butoxycarbonylamino)-2(R)-hydroxy-3-phenylpropionic acid methyl ester→1-(Dimethoxymethyl)naphthalene→(2R,4S,5R)-2-(Naphthalen-1-yl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-(naphthalen-1-yl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→3,5-Oxazolidinedicarboxylic acid, 2-(1-naphthalenyl)-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, (2R,4S,5R)-→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(2R,4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1-hydroxy-9-oxo-2-[(phenylcarbonyl)oxy]-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-2-(benzoyloxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10-trihydroxy-9-oxo-2-[(phenylcarbonyl)oxy]-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
2-(2-Nitrophenyl)acetic acid→(2-Nitrophenyl)acetyl chloride→(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoic acid→(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-[2-(2-nitrophenyl)acetoxy]-3-phenylpropanoic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-13-([(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-[2-(2-nitrophenyl)acetoxy]-3-phenylpropanoyl]oxy)-1-hydroxy-9-oxo-7,10-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→((chloromethoxy)methyl)benzene→(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-((benzyloxy)methoxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-((benzyloxy)methoxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-((benzyloxy)methoxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate→(4S,5R)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid→5-((2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-12-(benzoyloxy)-4,11-dihydroxy-6-methoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-yl) 3-(tert-butyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyloxazolidine-3,5-dicarboxylate
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