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CAS 1404189-41-8
3-(benzyloxy)pentanedioic acid3-(Benzyloxy)pentanedioic acid
Codes: ATOR-037, Atorvastatin-025
Application context (from source-drug indications)
Type 2 diabetesAtorvastatin Calcium Hydrate/Metformin HydrochlorideHyperlipidaemiaAtorvastatin Calcium Hydrate/Metformin HydrochlorideCardiac and vascular disordersAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHypertensionAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHyperlipidaemiaAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHeart diseaseAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHypertensionAtorvastatin Calcium Hydrate/IrbesartanHyperlipidaemiaAtorvastatin Calcium Hydrate/IrbesartanHypercholesterolaemiaAtorvastatin Calcium Hydrate/RamiprilHypertensionAtorvastatin Calcium Hydrate/RamiprilHyperlipidaemiaAtorvastatin strontiumSubarachnoid haemorrhageAtorvastatin strontiumHypertensionAtorvastatin strontiumHyperlipoproteinaemia type IIIAtorvastatin Calcium HydrateHyperlipidaemiaAtorvastatin Calcium HydrateHeterozygous familial hypercholesterolaemiaAtorvastatin Calcium HydrateHeart failureAtorvastatin Calcium HydrateType 2 diabetesAtorvastatin Calcium HydrateStrokeAtorvastatin Calcium Hydrate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin Calcium Hydrate/Metformin Hydrochloride | Tier C — Watch / trade | - |
| Atorvastatin/Hydrochlorothiazide/Aspirin/Enalapril | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate/Irbesartan | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate/Ramipril | Tier C — Watch / trade | - |
| Atorvastatin strontium | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate | Tier B — Position early | - |
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→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
4-(Benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→3-Hydroxypentanedioic acid 1,5-diethyl ester→Diethyl 3-(benzyloxy)pentanedioate→3-(Benzyloxy)pentanedioic acid→(3R)-3-(Benzyloxy)-5-methoxy-5-oxopentanoic acid→(Methoxycarbonyl)acetonitrile→Dimethyl (5R)-5-(benzyloxy)-2-cyano-3-oxoheptanedioate→Methyl (3R)-3-(benzyloxy)-6-cyano-5-oxohexanoate→Methyl (3R)-6-cyano-3-hydroxy-5-oxohexanoate→Methyl (3R,5R)-6-cyano-3,5-dihydroxyhexanoate→Methyl [(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate→Atorvastatin-033→Methyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate→(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-Dioxane-4-acetic acid 1,1-dimethylethyl ester
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
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
4-(Benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→3-Hydroxypentanedioic acid 1,5-diethyl ester→Diethyl 3-(benzyloxy)pentanedioate→3-(Benzyloxy)pentanedioic acid→(3R)-3-(Benzyloxy)-5-methoxy-5-oxopentanoic acid→(Methoxycarbonyl)acetonitrile→Dimethyl (5R)-5-(benzyloxy)-2-cyano-3-oxoheptanedioate→Methyl (3R)-3-(benzyloxy)-6-cyano-5-oxohexanoate→Methyl (3R)-6-cyano-3-hydroxy-5-oxohexanoate→Methyl (3R,5R)-6-cyano-3,5-dihydroxyhexanoate→Methyl [(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate→Atorvastatin-033→Methyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate→(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-Dioxane-4-acetic acid 1,1-dimethylethyl ester
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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