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Decernotinib (VX-509)

CAT: 0957-S7541-02Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S7541-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Decernotinib (VX-509) is a potent and selective JAK3 inhibitor with Ki of 2.5 nM, >4-fold selectivity over JAK1, JAK2, and TYK2, respectively. Phase 2/3.
CAS Number
944842-54-0
Target
JAK
Activity
Angiogenesis
Molecular Formula
C18H19F3N6O
Storage Conditions
2 years -80 in solvent

Chemical Information

VX 509

Decernotinib has been used in trials studying the treatment of Drug Interactions and Rheumatoid Arthritis.

CAS Number944842-54-0
PubChem CID59422203
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
Molecular FormulaC18H19F3N6O
Molecular Weight392.4
XLogP3.1
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity548
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
InChIKey
ASUGUQWIHMTFJL-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of VX 509
CAS: 944842-54-0
CID: 59422203
Formula: C18H19F3N6O
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass392.15724374
Monoisotopic Mass392.15724374
Topological Polar Surface Area95.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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