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Cenacitinib

CAT: 1568-C03609-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C03609-02Size:25 mg
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CAS Number
2641636-52-2
Synonyms
VTX-958
SKU
C03609-5mg
Target
JAK
Applications
Angiogenesis
Additionnal Information
Cenacitinib is an orally potent and selective allosteric inhibitor of tyrosine kinase 2 (Tyk2) . It exhibits significant efficacy and can be used in research for the treatment of moderate to severe psoriasis.

Chemical Information

Cenacitinib

Cenacitinib is a small molecule drug. The usage of the INN stem '-citinib' in the name indicates that Cenacitinib is a Janus kinase inhibitor. Cenacitinib is under investigation in clinical trial NCT05688852 (VTX958 for the Treatment of Moderately to Severely Active Crohn's Disease). Cenacitinib has a monoisotopic molecular weight of 431.15 Da.

CAS Number2641636-52-2
PubChem CID156338076
IUPAC Name1-[(1R,2S)-2-fluorocyclopropyl]-3-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
Molecular FormulaC19H19F2N7O3
Molecular Weight431.4
XLogP1.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity664
SMILES
CNC1=CC(=NC2=C(C=NN12)NC(=O)N[C@@H]3C[C@@H]3F)NC4=C5C(=CC(=C4)F)OCCO5
InChI
InChI=1S/C19H19F2N7O3/c1-22-16-7-15(24-12-4-9(20)5-14-17(12)31-3-2-30-14)27-18-13(8-23-28(16)18)26-19(29)25-11-6-10(11)21/h4-5,7-8,10-11,22H,2-3,6H2,1H3,(H,24,27)(H2,25,26,29)/t10-,11+/m0/s1
InChIKey
WMXUGUJEUBVMSQ-WDEREUQCSA-N
Chemical Structure
2D Structure
2D structure of Cenacitinib
CAS: 2641636-52-2
CID: 156338076
Formula: C19H19F2N7O3
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass431.15174382
Monoisotopic Mass431.15174382
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E5866-1gCenacitinib

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