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CAS 133524-70-6
(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Codes：(IV)101438-20-a,(IV)101438-20-b、(VI)101438-36-a、(VI)101438-38-a、(II)101438-40-a、(VIII)101438-46-a、(IX)101438-58-b、(II)101438-63-a
Application context (from source-drug indications)
乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Paclitaxel/Encequidar mesylatePaclitaxel/Encequidar mesylate | 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.
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Diacetoxy-12-benzyloxy-9-[3(S)-hexanamido-2(R)-hydroxy-3-phenylpropionyloxy]-4,11-dihydroxy-4a,8,13,13-tetramethyl-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benz[1,2-b]oxet-5-one→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-hexanamido-3-phenyl-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-[(E)-hexylideneamino]-3-phenyl-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→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→alpha-Chlorobenzaldehyde
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-15-{[(2R,3S)-3-(2-oxopropanamido)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-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)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-15-{[(2R,3S)-3-[(E)-(2-oxopropylidene)amino]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-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)-1-hydroxy-10,14,17,17-tetramethyl-15-{[(2R,3S)-3-[(2E)-2-methylbut-2-enamido]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-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)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-[(E)-[(2E)-2-methylbut-2-en-1-ylidene]amino]-3-phenylpropanoyl]oxy}-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-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→Benzoic acid (2alpha,5beta,7beta,10beta,13alpha)-4,10-diacetoxy-1,7-dihydroxy-13-[2(R)-hydroxy-3(S)-[2-methyl-2(E)-butenoylamino]-3-phenylpropionyloxy]-9-oxo-5,20-epoxytax-11-en-2-yl ester
(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-1,13-dihydroxy-9-oxo-7-(2,2,2-trichloroacetoxy)-5,20-epoxytax-11-en-2-yl benzoate→(2R,3R)-3-phenyloxirane-2-carboxylic acid→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2,2,2-trichloroacetyl)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)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-azido-2-hydroxy-3-phenylpropanoyl]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-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→alpha-Chlorobenzaldehyde
Bromo(phenyl)magnesium→[C11]Benzoic acid→ortho-Phthaloyl chloride→[11C]Benzoyl chloride→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-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-{[(benzyloxy)carbonyl]amino}-2-[(benzyloxy)methoxy]-3-phenylpropanoyl]oxy}-9-{[(benzyloxy)carbonyl]oxy}-1-hydroxy-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-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→alpha-Chlorobenzaldehyde
13-Acetyl-9-dihydrobaccatin-III→(2alpha,5beta,7beta,9beta,10beta,13alpha)-4-(Acetyloxy)-1,7,9,10,13-pentahydroxy-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10R,11R,12R,15S)-4-(acetyloxy)-9-[(tert-butyldimethylsilyl)oxy]-1,11,12,15-tetrahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10R,11R,12R,15S)-4,12-bis(acetyloxy)-9-[(tert-butyldimethylsilyl)oxy]-1,11,15-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→alpha-Chlorobenzaldehyde→(4S,5R)-3-[(tert-butoxy)carbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid→5-(1S,2S,3R,4S,7R,9S,10R,11R,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-9-[(tert-butyldimethylsilyl)oxy]-1,11-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl 3-tert-butyl (4S,5R)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→5-(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-9-[(tert-butyldimethylsilyl)oxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl 3-tert-butyl (4S,5R)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-2-(benzoyloxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate→alpha-Chlorobenzaldehyde
Benzoic acid (2alpha,5beta,7beta,10beta,13alpha)-4,10-diacetoxy-1,7-dihydroxy-13-[2(R)-hydroxy-3(S)-[2-methyl-2(E)-butenoylamino]-3-phenylpropionyloxy]-9-oxo-5,20-epoxytax-11-en-2-yl ester→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-([(2R,3S)-3-amino-3-phenyl-2-[(trimethylsilyl)oxy]propanoyl]oxy)-1-hydroxy-9-oxo-7-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate→Benzenecarboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-([(2R,3S)-3-benzamido-3-phenyl-2-[(trimethylsilyl)oxy]propanoyl]oxy)-1-hydroxy-9-oxo-7-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoat e
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