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IRAK4-IN-24

CAT: 0804-HY-149345Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-149345Size:1 Each
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Description
IRAK4-IN-24 (compound 16) is a potent IRAK4 inhibitor, with high clearance (Cl) and poor oral bioavailability. IRAK4-IN-24 can be used for research in inflammatory and autoimmune disorders.
CAS Number
2952533-54-7
UNSPSC
12352005
Target
IRAK
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/irak4-in-24.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=CC(C2=CN(C)N=C2)=N1)C3=CC(CC(C)(C)O4)=C4N=C3O
Molecular Formula
C19H19N5O3
Molecular Weight
365.39
References & Citations
[1]Hao Y, et al. Synthesis and evaluation of dihydrofuro [2, 3-b] pyridine derivatives as potent IRAK4 inhibitors[J]. European Journal of Medicinal Chemistry, 2023: 115616.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IRAK4

Chemical Information

Irak4-IN-24
CAS Number2952533-54-7
PubChem CID168475871
IUPAC Name2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
Molecular FormulaC19H19N5O3
Molecular Weight365.4
XLogP0.9
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity714
SMILES
CC1(CC2=C(O1)NC(=O)C(=C2)C(=O)NC3=CC=CC(=N3)C4=CN(N=C4)C)C
InChI
InChI=1S/C19H19N5O3/c1-19(2)8-11-7-13(17(26)23-18(11)27-19)16(25)22-15-6-4-5-14(21-15)12-9-20-24(3)10-12/h4-7,9-10H,8H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKey
OLOFOTRUTYUWBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irak4-IN-24
CAS: 2952533-54-7
CID: 168475871
Formula: C19H19N5O3
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass365.14878949
Monoisotopic Mass365.14878949
Topological Polar Surface Area98.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity714
Isotope Atom Count0
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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