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IRAK4-IN-30

CAT: 0013-GTR19249033-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249033-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IRAK4-IN-30 (Compound I) is a potent and selective IRAK4 inhibitor with an IC50 value of 0.6 nM. This small molecule is a valuable research tool for investigating IRAK4's role in inflammatory signaling and oncology, supporting both in vitro biochemical assays and in vivo disease model studies.
CAS Number
2967595-45-3
Field of Research
Immunology & Inflammation, Signal Transduction
Smiles
O (C) C1=CC=2C (C=C1C (NC=3C (=O) N (C=CC3) C4CC4) =O) =CN (N2) [C@H]5CC[C@H] (N (C ([C@@H] (C) O) =O) C) CC5
Molecular Formula
C27H33N5O5
Molecular Weight
507.581
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Irak4-IN-30
CAS Number2967595-45-3
PubChem CID170227690
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
Molecular FormulaC27H33N5O5
Molecular Weight507.6
XLogP2.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity957
SMILES
C[C@H](C(=O)N(C)C1CCC(CC1)N2C=C3C=C(C(=CC3=N2)OC)C(=O)NC4=CC=CN(C4=O)C5CC5)O
InChI
InChI=1S/C27H33N5O5/c1-16(33)26(35)30(2)18-6-10-20(11-7-18)32-15-17-13-21(24(37-3)14-23(17)29-32)25(34)28-22-5-4-12-31(27(22)36)19-8-9-19/h4-5,12-16,18-20,33H,6-11H2,1-3H3,(H,28,34)/t16-,18?,20?/m1/s1
InChIKey
JVLAKTZEBLZHSJ-PPDQVPDSSA-N
Chemical Structure
2D Structure
2D structure of Irak4-IN-30
CAS: 2967595-45-3
CID: 170227690
Formula: C27H33N5O5
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass507.24816917
Monoisotopic Mass507.24816917
Topological Polar Surface Area117 Ų
Heavy Atom Count37
Formal Charge0
Complexity957
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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