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2051918-33-1

2051918-33-1 Structure

2051918-33-1 Structure
IdentificationBack Directory
[Name]

3-((1R,3S,5S)-3-((7-((5-Methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile
[CAS]

2051918-33-1
[Synonyms]

Izencitinib
Izencitinib(TD-1473)
8-Azabicyclo[3.2.1]octane-8-propanenitrile, 3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-, (3-exo)-
3-((1R,3S,5S)-3-((7-((5-Methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile
[Molecular Formula]

C22H26N8
[MDL Number]

MFCD32173126
[MOL File]

2051918-33-1.mol
[Molecular Weight]

402.51
Chemical PropertiesBack Directory
[Boiling point ]

691.8±55.0 °C(Predicted)
[density ]

1.337±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 50 mg/mL (124.22 mM; Need ultrasonic)
[form ]

Solid
[pka]

14.02±0.10(Predicted)
[color ]

Yellow to orange
Hazard InformationBack Directory
[Uses]

Izencitinib (TD-1473) is an orally active, non-selective and gut-restricted JAK inhibitor. Izencitinib (TD-1473) can be used in the study for ulcerative colitis[1].
[in vivo]

Izencitinib (TD-1473, 1 mg/kg BID) preserves body weight and reduced occult blood scores in a mouse oxazolone colitis model[1].

[References]

[1] Kevin S Currie, et al. Small-molecule agents for the treatment of inflammatory bowel disease. Bioorg Med Chem Lett. 2019 Aug 15;29(16):2034-2041. DOI:10.1016/j.bmcl.2019.06.042
[2] William J Sandborn, et al. Development of Gut-Selective Pan-Janus Kinase Inhibitor TD-1473 for Ulcerative Colitis: A Translational Medicine Programme. J Crohns Colitis. 2020 Sep 16;14(9):1202-1213. DOI:10.1093/ecco-jcc/jjaa049
[3] D. Beattie, et al. TD-1473, a novel, potent, and orally administered, GI-targeted, pan-Janus kinase (JAK) inhibitor. Journal of Crohn's and Colitis, Volume 10, Issue suppl_1, March 2016, Page S123.
Spectrum DetailBack Directory
[Spectrum Detail]

3-((1R,3S,5S)-3-((7-((5-Methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile(2051918-33-1)1HNMR
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