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IRAK4-IN-28

CAT: 0931-T79337-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T79337-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2952532-92-0
Target
IRAK
Related Pathways
NF-κB, Immunology/Inflammation
Bioactivity
IRAK4-IN-28 (compound 42), an orally-active IRAK4 inhibitor (IC50=8.9 nM), exhibits strong binding affinity with a Kd of 0.58 nM for the target enzyme. It is utilized for research purposes in the study of inflammation and autoimmune diseases [1].
Smiles
C(NC=1N=C(C=CC1)C=2C=NN(C)C2)(=O)C3=C(N=C4C(=C3)OC(=N4)N5CCOCC5)N6CCN(CC6)C7CC7
Molecular Formula
C27H31N9O3
Molecular Weight
529.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

US20250074919, Example A35
CAS Number2952532-92-0
PubChem CID168476160
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
Molecular FormulaC27H31N9O3
Molecular Weight529.6
XLogP2
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity850
SMILES
CN1C=C(C=N1)C2=NC(=CC=C2)NC(=O)C3=CC4=C(N=C3N5CCN(CC5)C6CC6)N=C(O4)N7CCOCC7
InChI
InChI=1S/C27H31N9O3/c1-33-17-18(16-28-33)21-3-2-4-23(29-21)30-26(37)20-15-22-24(32-27(39-22)36-11-13-38-14-12-36)31-25(20)35-9-7-34(8-10-35)19-5-6-19/h2-4,15-17,19H,5-14H2,1H3,(H,29,30,37)
InChIKey
YOQDBSNKDCAIOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US20250074919, Example A35
CAS: 2952532-92-0
CID: 168476160
Formula: C27H31N9O3
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass529.25498588
Monoisotopic Mass529.25498588
Topological Polar Surface Area118 Ų
Heavy Atom Count39
Formal Charge0
Complexity850
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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