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CAS 134523-01-6
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
Codes：ATOR-015
Application context (from source-drug indications)
二型糖尿病阿托伐他汀钙/盐酸二甲双胍高脂血症阿托伐他汀钙/盐酸二甲双胍高血压Atorvastatin Calcium Hydrate/Irbesartan高脂血症Atorvastatin Calcium Hydrate/Irbesartan高胆固醇血症阿托伐他汀钙/雷米普利高血压阿托伐他汀钙/雷米普利
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| 阿托伐他汀钙/盐酸二甲双胍Atorvastatin Calcium Hydrate/Metformin Hydrochloride | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate/IrbesartanAtorvastatin Calcium Hydrate/Irbesartan | Tier C — Watch / trade | - |
| 阿托伐他汀钙/雷米普利Atorvastatin Calcium Hydrate/Ramipril | 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.
ethyl 2-bromo-2-(4-fluorophenyl)acetate→2-(1,3-dioxolan-2-yl)ethanamine→ethyl 2-((2-(1,3-dioxolan-2-yl)ethyl)amino)-2-(4-fluorophenyl)acetate→isobutyryl chloride→2-(N-(2-(1,3-dioxolan-2-yl)ethyl)isobutyramido)-2-(4-fluorophenyl)acetic acid→N,3-diphenylpropiolamide→1-(2-(1,3-dioxolan-2-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-2-isopropyl-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide→methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate→(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→(R)-1-phenylethan-1-amine→1-((3R,5R)-3,5-dihydroxy-7-oxo-7-(((R)-1-phenylethyl)amino)heptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→(R)-ethyl 6-cyano-5-hydroxy-3-oxohexanoate→N,N-diphenylacetamide→(R)-6-cyano-5-hydroxy-3-oxo-N,N-diphenylhexanamide→(3R,5R)-6-cyano-3,5-dihydroxy-N,N-diphenylhexanamide→2,2-dimethoxypropane→2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→1-(2-((4R,6R)-6-(2-(diphenylamino)-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→1-((3R,5R)-7-(diphenylamino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2,2-dimethoxypropane→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→(R)-3-((tert-butyldimethylsilyl)oxy)-4-cyanobutanoic acid→monomagnesium mono(3-(tert-butoxy)-3-oxopropanoate)→(R)-tert-butyl 5-((tert-butyldimethylsilyl)oxy)-6-cyano-3-oxohexanoate→(3R,5R)-tert-butyl 6-cyano-3,5-dihydroxyhexanoate→tert-butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-tert-butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
ethyl 2-bromo-2-(4-fluorophenyl)acetate→2-(1,3-dioxolan-2-yl)ethanamine→ethyl 2-((2-(1,3-dioxolan-2-yl)ethyl)amino)-2-(4-fluorophenyl)acetate→isobutyryl chloride→2-(N-(2-(1,3-dioxolan-2-yl)ethyl)isobutyramido)-2-(4-fluorophenyl)acetic acid→N,3-diphenylpropiolamide→1-(2-(1,3-dioxolan-2-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-2-isopropyl-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide→methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate→(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→(R)-1-phenylethan-1-amine→1-((3R,5R)-3,5-dihydroxy-7-oxo-7-(((R)-1-phenylethyl)amino)heptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→(R)-ethyl 6-cyano-5-hydroxy-3-oxohexanoate→N,N-diphenylacetamide→(R)-6-cyano-5-hydroxy-3-oxo-N,N-diphenylhexanamide→(3R,5R)-6-cyano-3,5-dihydroxy-N,N-diphenylhexanamide→2,2-dimethoxypropane→2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→1-(2-((4R,6R)-6-(2-(diphenylamino)-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→1-((3R,5R)-7-(diphenylamino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2,2-dimethoxypropane→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→(R)-3-((tert-butyldimethylsilyl)oxy)-4-cyanobutanoic acid→monomagnesium mono(3-(tert-butoxy)-3-oxopropanoate)→(R)-tert-butyl 5-((tert-butyldimethylsilyl)oxy)-6-cyano-3-oxohexanoate→(3R,5R)-tert-butyl 6-cyano-3,5-dihydroxyhexanoate→tert-butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-tert-butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
ethyl 2-bromo-2-(4-fluorophenyl)acetate→2-(1,3-dioxolan-2-yl)ethanamine→ethyl 2-((2-(1,3-dioxolan-2-yl)ethyl)amino)-2-(4-fluorophenyl)acetate→isobutyryl chloride→2-(N-(2-(1,3-dioxolan-2-yl)ethyl)isobutyramido)-2-(4-fluorophenyl)acetic acid→N,3-diphenylpropiolamide→1-(2-(1,3-dioxolan-2-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-2-isopropyl-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide→methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate→(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→(R)-1-phenylethan-1-amine→1-((3R,5R)-3,5-dihydroxy-7-oxo-7-(((R)-1-phenylethyl)amino)heptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→(R)-ethyl 6-cyano-5-hydroxy-3-oxohexanoate→N,N-diphenylacetamide→(R)-6-cyano-5-hydroxy-3-oxo-N,N-diphenylhexanamide→(3R,5R)-6-cyano-3,5-dihydroxy-N,N-diphenylhexanamide→2,2-dimethoxypropane→2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)-N,N-diphenylacetamide→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→1-(2-((4R,6R)-6-(2-(diphenylamino)-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)ethyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→1-((3R,5R)-7-(diphenylamino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2,2-dimethoxypropane→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→(R)-3-((tert-butyldimethylsilyl)oxy)-4-cyanobutanoic acid→monomagnesium mono(3-(tert-butoxy)-3-oxopropanoate)→(R)-tert-butyl 5-((tert-butyldimethylsilyl)oxy)-6-cyano-3-oxohexanoate→(3R,5R)-tert-butyl 6-cyano-3,5-dihydroxyhexanoate→tert-butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-tert-butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
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