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Deucravacitinib (BMS-986165)

CAT: 0957-S8879-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8879-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609392-27-9
Target
JAK
Applications
Angiogenesis
Smiles
CNC (=O) C1=NN=C (C=C1NC2=CC=CC (=C2OC) C3=NN (C=N3) C) NC (=O) C4CC4
Molecular Formula
C20H19D3N8O3
Additionnal Information
Deucravacitinib (BMS-986165) is a highly potent and selective allosteric inhibitor of Tyk2 with a Ki value of 0.02 nM for binding to the Tyk2 pseudokinase domain. It is highly selective against a panel of 265 kinases and pseudokinases.
Storage Conditions
3 years -20°C powder

Chemical Information

Deucravacitinib

Deucravacitinib is a novel oral selective tyrosine kinase 2 (TYK2) inhibitor. Unlike other Janus kinase 1/2/3 inhibitors that bind to the conserved active domain of these non-receptor tyrosine kinases, deucravacitinib binds to the regulatory domain of TYK2 with high selectivity to this therapeutic target. This selectivity towards TYK2 may lead to an improved safety profile of deucravacitinib, as nonselective JAK inhibitors are associated with a range of adverse effects such as altered cholesterol and triglyceride levels and liver and kidney dysfunction. Deucravacitinib was first approved by the FDA in September 2022 to treat moderate-to-severe plaque psoriasis. It was later approved by Health Canada in November 2022 and by the European Medicines Agency in March 2023.

CAS Number1609392-27-9
PubChem CID134821691
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Molecular FormulaC20H22N8O3
Molecular Weight425.5
XLogP1.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity648
SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
InChI
InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Deucravacitinib
CAS: 1609392-27-9
CID: 134821691
Formula: C20H22N8O3
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass425.20031683
Monoisotopic Mass425.20031683
Topological Polar Surface Area136 Ų
Heavy Atom Count31
Formal Charge0
Complexity648
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C13744-10mM/1mLDeucravacitinib (BMS-986165)
A18726-1Deucravacitinib (BMS-986165) 1mg
A18726-100Deucravacitinib (BMS-986165) 100mg
A18726-50Deucravacitinib (BMS-986165) 50mg
A18726-25Deucravacitinib (BMS-986165) 25mg
A18726-200Deucravacitinib (BMS-986165) 200mg
A18726-10Deucravacitinib (BMS-986165) 10mg
A18726-5Deucravacitinib (BMS-986165) 5mg
A18726-500Deucravacitinib (BMS-986165) 500mg
A18726-2Deucravacitinib (BMS-986165) 2mg

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