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CAS 640287-99-6
1-(3-[[(tert-Butoxycarbonyl)amino]methyl]phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Codes: Berotralstat-004
Application context (from source-drug indications)
遗传性血管性水肿Berotralstat
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Berotralstat | 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-[Bis(trimethylsilyl)amino]-4-fluorophenyl](bromido)magnesium→3-Formylbenzonitrile→3-[(3-Amino-4-fluorophenyl)(hydroxy)methyl]benzonitrile→1-(3-[[(tert-Butoxycarbonyl)amino]methyl]phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid→tert-Butyl ([3-[5-([5-[(3-cyanophenyl)(hydroxy)methyl]-2-fluorophenyl]carbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]methyl)carbamate→Cyclopropylmethanamine→tert-Butyl [(3-[5-[(5-[(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl)carbamoyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl)methyl]carbamate→1-[3-(Aminomethyl)phenyl]-N-(5-[(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide→1-[3-(Aminomethyl)phenyl]-N-(5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
1-(3-[[(tert-Butoxycarbonyl)amino]methyl]phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid→3-aminobenzonitrile→4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione→3-[5-(Furan-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile→1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid→1-[3-(Aminomethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
5-Bromo-2-fluoroaniline→N-(5-Bromo-2-fluorophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine→[3-[Bis(trimethylsilyl)amino]-4-fluorophenyl](bromido)magnesium→3-Formylbenzonitrile→(SR)-N-[(3-Cyanophenyl)methylidene]-2-methylpropane-2-sulfinamide→(SR)-N-[(R)-(3-Amino-4-fluorophenyl)(3-cyanophenyl)methyl]-2-methylpropane-2-sulfinamide→3-[(R)-Amino(3-amino-4-fluorophenyl)methyl]benzonitrile hydrogen chloride→Cyclopropanal→Oxalic acid 3-[(R)-(3-amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]benzonitrile→1-(3-[[(tert-Butoxycarbonyl)amino]methyl]phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid→tert-Butyl [(3-[5-[(5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl)carbamoyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl)methyl]carbamate
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