Ivacaftor (VX-770)

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Names

[ CAS No. ]:
873054-44-5

[ Name ]:
Ivacaftor (VX-770)

[Synonym ]:
3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-
Ivacaftor
[14C]-Ivacaftor
Kalydeco
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
MFCD17171361
VX770
UNII-1Y740ILL1Z
N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxaraide
N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide
N-[5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide
N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide
VX-770

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
550.5±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C24H28N2O3

[ Molecular Weight ]:
392.491

[ Flash Point ]:
286.7±30.1 °C

[ Exact Mass ]:
392.209991

[ PSA ]:
85.68000

[ LogP ]:
6.34

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.606

[ Storage condition ]:
2~8℃

Safety Information

[ HS Code ]:
29333990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Amino-2,4-bis(2-methyl-2-propanyl)phenol
  • 5-Amino-2,4-di-tert-butylphenyl methyl carbonate
  • 1,4-Dihydro-4-oxoquinoline-3-carboxylic acid
  • Carbonic acid 5-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-2,4-bis(1,1-dimethylethyl)phenyl methyl ester
  • 2,4-Di-t-butylphenol
  • Carbonic acid, 2,4-bis(1,1-dimethylethyl)phenyl Methyl ester
  • 2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate
  • Ethyl 4-hydroxy-3-quinolinecarboxylate
  • Propanedioic acid,2-[(phenylamino)methylene]-, 1,3-diethyl ester

DownStream

  • N-(2-(TERT-BUTYL)-5-HYDROXY-4-(1-HYDROXY-2-METHYLPROPAN-2-YL)PHENYL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE
  • 2-(5-(TERT-BUTYL)-2-HYDROXY-4-(4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDO)PHENYL)-2-METHYLPROPANOIC ACID

Related Compounds

  • 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol
  • VX-770
  • Ivacaftor (hydrate)
  • Ivacaftor-d18
  • Ivacaftor-D9
  • Ivacaftor-d19
  • 2,4,4-Trimethylcyclopentane-1-sulfonyl chloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 4-(5-Bromopyridin-2-yl)butan-1-amine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine