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CAS 125971-96-2
2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide
Codes：ATOR-023
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.
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
2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→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→3-(benzyloxy)propanal→ATOR-051→1,2-bis((2R,5R)-2,5-dimethylphospholan-1-yl)ethane→lithium 2,2,5,7,8-pentamethylchroman-6-olate→ATOR-054→ATOR-055→lithium 1-(tert-butoxy)ethenolate→(R)-tert-butyl 7-(benzyloxy)-5-((tert-butyldimethylsilyl)oxy)-3-oxoheptanoate→tert-butyl 2-((4R,6R)-6-(2-(benzyloxy)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-2,2-dimethyl-6-(2-(tosyloxy)ethyl)-1,3-dioxan-4-yl)acetate
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
2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→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→3-(benzyloxy)propanal→ATOR-051→1,2-bis((2R,5R)-2,5-dimethylphospholan-1-yl)ethane→lithium 2,2,5,7,8-pentamethylchroman-6-olate→ATOR-054→ATOR-055→lithium 1-(tert-butoxy)ethenolate→(R)-tert-butyl 7-(benzyloxy)-5-((tert-butyldimethylsilyl)oxy)-3-oxoheptanoate→tert-butyl 2-((4R,6R)-6-(2-(benzyloxy)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-2,2-dimethyl-6-(2-(tosyloxy)ethyl)-1,3-dioxan-4-yl)acetate
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
2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→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→3-(benzyloxy)propanal→ATOR-051→1,2-bis((2R,5R)-2,5-dimethylphospholan-1-yl)ethane→lithium 2,2,5,7,8-pentamethylchroman-6-olate→ATOR-054→ATOR-055→lithium 1-(tert-butoxy)ethenolate→(R)-tert-butyl 7-(benzyloxy)-5-((tert-butyldimethylsilyl)oxy)-3-oxoheptanoate→tert-butyl 2-((4R,6R)-6-(2-(benzyloxy)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→tert-butyl 2-((4R,6R)-2,2-dimethyl-6-(2-(tosyloxy)ethyl)-1,3-dioxan-4-yl)acetate
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