≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
IRAK inhibitor 3 is an interleukin-1 (IL-I) receptor-associated kinase ( IRAK ) kinase modulator extracted from patent WO2008030579 A2.
In Vitro
IRAK inhibitor 3 is an IRAK modulator, which can be used for treating an inflammatory condition, cell proliferative disorder, immune disorder. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IRAK
| Canonical Smiles | COC1=C(C=C(C=C1)C2=CN=C3N2N=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)N)OC |
|---|---|
| IUPAC Name | 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide |
| InChIKey | UPFVAHVWLNBVSG-UHFFFAOYSA-N |
| INCHI | 1S/C21H21N5O4S/c1-29-18-8-5-15(11-19(18)30-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(7-4-14)31(22,27)28/h3-11,13H,12H2,1-2H3,(H,23,25)(H2,22,27,28) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C2=CN=C3N2N=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)N)OC |
| Alternate CAS | 1012343-93-9 |
| PubChem CID | 25103689 |
| Molecular Weight | 439.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzylamines Aminopyridazines Alkyl aryl ethers Organosulfonamides Imidolactams N-substituted imidazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylimidazole - 5-phenylimidazole - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Benzylamine - Aminopyridazine - Alkyl aryl ether - Imidolactam - Benzenoid - N-substituted imidazole - Pyridazine - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Solubility | DMSO : 13 mg/mL (29.58 mM; Need ultrasonic and warming) |
|---|---|
| Molecular Weight | 439.500 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 439.131 Da |
| Monoisotopic Mass | 439.131 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 682.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
