Decernotinib

Decernotinib
Identifiers
	IUPAC name (2R)-2-Methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;
CAS Number	944842-54-0;
PubChem CID	59422203;
ChemSpider	30843790;
UNII	MZK2GP0RHK;
KEGG	D10585;
CompTox Dashboard (EPA)	DTXSID70241504 ;
Chemical and physical data
Formula	C18H19F3N6O
Molar mass	392.386 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC[C@](C)(C(=O)NCC(F)(F)F)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3;
	InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1; Key:ASUGUQWIHMTFJL-QGZVFWFLSA-N;

Decernotinib is an inhibitor of Janus kinase 3 (JAK3) discovered through a process of inhouse screening of a chemical compound library. Decernotinib also had the name VX-509 in development phase. It is an experimental drug with high selectivity for JAK3, which demonstrates good efficacy in vivo in the rat host versus graft model (HvG). It is being studied in clinical trials at Vertex.[1]

References

Farmer, Luc J.; Ledeboer, Mark W.; Hoock, Thomas; Arnost, Michael J.; Bethiel, Randy S.; Bennani, Youssef L.; Black, James J.; Brummel, Christopher L.; Chakilam, Ananthsrinivas (2015-09-24). "Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases". Journal of Medicinal Chemistry. 58 (18): 7195–7216. doi:10.1021/acs.jmedchem.5b00301. ISSN 0022-2623. PMID 26230873.

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[1] Farmer, Luc J.; Ledeboer, Mark W.; Hoock, Thomas; Arnost, Michael J.; Bethiel, Randy S.; Bennani, Youssef L.; Black, James J.; Brummel, Christopher L.; Chakilam, Ananthsrinivas (2015-09-24). "Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases". Journal of Medicinal Chemistry. 58 (18): 7195–7216. doi:10.1021/acs.jmedchem.5b00301. ISSN 0022-2623. PMID 26230873.