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402567-16-2

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402567-16-2 Structure

402567-16-2 Structure
IdentificationBack Directory
[Name]

Firategrast
[CAS]

402567-16-2
[Synonyms]

CS-1588
SB683699
SB-683699
SB 683699
402567-16-2
Firategrast
SB-683699; SB683699
SB-683699，Firategrast
Firategrast (SB 683699)
SB-683699;SB 683699;SB683699
(S)-2-(2,6-difluorobenzamido)-3-(4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
[1,1'-Biphenyl]-4-propanoic acid, α-[(2,6-difluorobenzoyl)aMino]-4'-(ethoxyMethyl)-2',6'-diMethoxy-, (αS)-
(alphaS)-alpha-[(2,6-Difluorobenzoyl)amino]-4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-propanoic acid
[Molecular Formula]

C27H27F2NO6
[MOL File]

402567-16-2.mol
[Molecular Weight]

499.5
Chemical PropertiesBack Directory
[Melting point ]

154-155℃ (ethanol water )
[Boiling point ]

594.4±50.0 °C(Predicted)
[density ]

1.261±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≥50 mg/mL in DMSO; insoluble in H2O; ≥90.8 mg/mL in EtOH with gentle warming
[form ]

solid
[pka]

3.51±0.10(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Treatment of multiple sclerosis and inflammatory bowel disease.
[target]

α4β1/α4β7 integrin
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Firategrast(402567-16-2)1HNMR
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