Chemistry:Decernotinib

Short description: Chemical compound

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
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.