HG-12-6( —— )

Catalog No. M13547 CAS No. 2222354-57-4

COA

Datasheet

HNMR

HPLC

MSDS

Handing Instructions

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Product Name

HG-12-6
Note

Research use only, not for human use.
Brief Description

HG-12-6 is a small-molecule inhibitor that bind preferentially to unphosphorylated IRAK4 with IC50 of 165.1 nM.
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.
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. 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).
In Vivo

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Synonyms

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Pathway

Immunology/Inflammation
Target

IRAK
Recptor

IRAK
Research Area

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Indication

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CAS Number

2222354-57-4
Formula Weight

580.63
Molecular Formula

C29H27F3N6O2S
Purity

>98% (HPLC)
Solubility

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SMILES

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Chemical Name

3-(2-(cyclopropanecarboxamido)thiazolo[5,4-b]pyridin-5-yl)-N-(4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl)benzamide

1. Wang L, et al. J Biol Chem. 2019 Jan 24. pii: jbc.RA118.005428. doi: 10.1074/jbc.RA118.005428.

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