HG-12-6
Modify Date: 2025-08-27 21:44:07
HG-12-6 structure
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Common Name | HG-12-6 | ||
|---|---|---|---|---|
| CAS Number | 2222354-57-4 | Molecular Weight | 580.63 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C29H27F3N6O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of HG-12-6HG-12-6 is a small-molecule inhibitor that bind preferentially to unphosphorylated IRAK4 with IC50 of 165.1 nM, displays 15-fold selectivity over phosphorylated IRAK4 (IC50=2876 nM); binds as type II inhibitor with IRAK4 in a “DFG-out” conformation. |
| Name | HG-12-6 |
|---|
| Description | HG-12-6 is a small-molecule inhibitor that bind preferentially to unphosphorylated IRAK4 with IC50 of 165.1 nM, displays 15-fold selectivity over phosphorylated IRAK4 (IC50=2876 nM); binds as type II inhibitor with IRAK4 in a “DFG-out” conformation. |
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| Related Catalog | |
| Target |
IRAK4:165 nM (IC50, Unphosphorylated inactive IRAK4 ) IRAK4:2876 nM (IC50, Phosphorylated active IRAK4 ) |
| In Vitro | The in-house compound HG-12-6 has a similar chemical scaffold as Ponatinib. The most differentiating components are the head of the inhibitor and the lack of a methyl substituent on ring A. Without the methyl substituent on ring A, the entire HG-12-6 molecule shifts inward to the ATP pocket in comparison with the binding mode of Ponatinib[1]. HG-12-6 has a better binding affinity for the unphosphorylated inactive IRAK4 kinase domain (IC50 of 165 nM) than the phosphorylated active IRAK4 kinase domain (IC50 of 2876 nM)[1]. |
| References |
| Molecular Formula | C29H27F3N6O2S |
|---|---|
| Molecular Weight | 580.63 |
| InChIKey | BBTDRPBKISKELY-UHFFFAOYSA-N |
| SMILES | O=C(Nc1ccc(CN2CCNCC2)c(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 |