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BX 795 hydrochloride
- Parent CAS: 702675-74-9
- Soluble in DMSO
- MF: C23H26IN7O2S.HCl
- MW: 627.93
Description
The hydrochloride salt form of BX 795 (Axon 1390), which was initially developed as a PDPK1 inhibitor. Recent study highlighted on its bioactivitiy as a potent and relatively specific inhibitor of TBK1 and closely related IKKε, with IC50 values to be 6, 41, and 111 nM for TBK1, IKKε and PDPK1 respectively.
More Information
| Parent CAS No. | 702675-74-9 |
|---|---|
| Chemical Name | N-(3-(5-Iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide hydrochloride |
| SMILES | C1C(I)=C(NCCCNC(=O)C2=CC=CS2)N=C(NC2C=C(NC(=O)N3CCCC3)C=CC=2)N=1.Cl |
| MFCD | N.A. |
| InChi | InChI=1S/C23H26IN7O2S.ClH/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31;/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30);1H |
| InChiKey | KDSWLWHEZMPRTQ-UHFFFAOYSA-N |
| CID | 117065362 |
| Short Description | PDK1/TBK1 inhibitor |
References
- R I Feldman et al. Novel Small Molecule Inhibitors of 3-Phosphoinositide-dependent Kinase-1. J. Biol. Chem., 2005, 280, 20, 19867-19874.
- J Bain et al. The selectivity of protein kinase inhibitors: a further update. Biochem. J. 2007, 408, 297–315.
- C Peifer, D R. Alessi, Small-Molecule Inhibitors of PDK1. ChemMedChem. 2008, 3 (12), 1810–1838.
- K Clark et al. Use of the pharmacological inhibitor BX795 to study the regulation and physiological roles of TBK1 and IκB kinase ϵ: a distinct upstream kinase mediates SER-172 phosphoylation and activation. J. Biol. Chem. 2009, 284, 14136-14146.
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