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CAS 4652-27-1
ethyl 3-oxo-3-((3-(trifluoromethyl)phenyl)amino)propanoate
Codes: ALPE-003, ALVEL-004
Application context (from source-drug indications)
Growth disorderAlpelisibGenetic diseaseAlpelisibPIK3CA-related overgrowth spectrumAlpelisibBreast cancerAlpelisibCOVID-19Alvelestatα1抗胰蛋白酶缺乏症AlvelestatEmphysemaAlvelestatChronic obstructive pulmonary diseaseAlvelestat闭塞性细支气管炎AlvelestatGraft-versus-host diseaseAlvelestat
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Alpelisib | Tier C — Watch / trade | 2029 |
| Alvelestat | 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.
3,3,3-trifluoro-2,2-dimethylpropanoic acid→3,3,3-trifluoro-2,2-dimethylpropanoyl chloride→ethyl 3-oxo-3-((3-(trifluoromethyl)phenyl)amino)propanoate→2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one→2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one→4-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine→N-(4-methylthiazol-2-yl)acetamide→N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)acetamide→4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-amine→N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)-1H-imidazole-1-carboxamide→(S)-pyrrolidine-2-carboxamide
3-(trifluoromethyl)aniline→ethyl 3-chloro-3-oxopropanoate→ethyl 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate →ethyl 3-oxo-3-((3-(trifluoromethyl)phenyl)amino)propanoate→(E)-4-methoxybut-3-en-2-one→6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid→1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole→6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid→6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid→(5-(methylsulfonyl)pyridin-2-yl)methanamine hydrochloride→5-bromopicolinonitrile→5-(methylsulfonyl)picolinonitrile
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