Saquinavir

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Names

[ Name ]:
Saquinavir

[Synonym ]:
L-aspartamide, N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)-
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
[3S-[2[1R*(R*),2S*],3a,4ab,8ab]]- N1[3-[3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide
Butanediimidic acid, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[(Z)-[(1,1-dimethylethyl)imino]hydroxymethyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (1E ,2S)-
N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N-(quinolin-2-ylcarbonyl)-L-aspartamide
N-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N-(quinolin-2-ylcarbonyl)-L-aspartamide
SAGUINAVIR
N-tert-Butyldecahydro-2-[2(R)-hydroxy-4-phenyl-3(S)-[[N-(2-quinolylcarbonyl)-L-asparaginyl]amino]butyl](4aS,8aS)-isoquinoline-3(S)-carboxamide
(2S)-N-{(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisochinolin-2(1H)-yl]-2-hydroxypropyl}-2-[(chinolin-2-ylcarbonyl)amino]butandiamid
Saquinavir
Butanediamide, N1-((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
N1-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide
SAQUINAVIRMESYLATE(SUBJECTTOPATENTFREE)
2-[[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]AMINO]PYRIDINE-3-CARBOXYLIC ACID
Ro 31-8959/000
FLUNIXIN
(2S)-N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-2-[(quinolin-2-ylcarbonyl)amino]butanediamide
(S)-N-[(aS)-a-[(1R)-2-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydro-2(1H)-isoquinolyl]-1-hydroxyethyl]phenethyl]-2-quinaldamidosuccinamide
L-Aspartamide, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N-(2-quinolinylcarbonyl)-
(2S)-N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(1,1-diméthyléthyl)carbamoyl]octahydroisoquinoléin-2(1H)-yl]-2-hydroxypropyl}-2-[(quinoléin-2-ylcarbonyl)amino]butanediamide
FLUNIXINE
(1E,2S)-N-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-{(Z)-hydroxy[(2-methyl-2-propanyl)imino]methyl}octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-2-[(2-quinolinylcarbonyl)amino]butanediimidic acid
MFCD00866925
N-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-N-(2-quinolinylcarbonyl)-L-aspartamide

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
1015ºC at 760 mmHg

[ Melting Point ]:
91.5ºC

[ Molecular Formula ]:
C₃₈H₅₀N₆O₅

[ Molecular Weight ]:
670.841

[ Flash Point ]:
567.7ºC

[ Exact Mass ]:
670.384277

[ PSA ]:
166.75000

[ LogP ]:
6.40

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.646

[ Storage condition ]:
2-8℃

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

N2-(2-Quinolinylcarbonyl)-L-asparagine
(3S,4aS,8aS)-2-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoyl chloride
2(S)-[2-phenyl-1(S)-phthalimidoethyl]oxirane
N-tert-Butyldecahydro-2-(2(R)-hydroxy-4-phenyl-3(S)phthalimidobutyl)-(4aS,8aS)-isoquinoline-3(S)-carboxamide
benzyl N-[(2S)-1-[[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]carbamate
L-Phenylalanine
H-Tic-OH