I-BET726
- GSK1324726A
- Optical Purity: 0.99
- Soluble in DMSO and EtOH
- MF: C25H23ClN2O3
- MW: 434.91
Description
I-BET726 is a potent and selective, tetrahydroquinoline-based small molecule ligand binding to BET proteins with IC50s (FRET) of 7.4, 7.1, 7.0, and 7.3 nM for BRD2, BRD3 BRD4 and BRDT, respectively, showing no binding potency towards other proteins.
More Information
| Parent CAS No. | 1300031-52-0 |
|---|---|
| Chemical Name | 4-((2S,4R)-1-Acetyl-4-(4-chlorophenylamino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid |
| extra_info | Sold in collaboration with Chemietek |
| SMILES | C1[C@@H](NC2C=CC(Cl)=CC=2)C2C=C(C3C=CC(C(=O)O)=CC=3)C=CC=2N(C(=O)C)[C@H]1C |&1:1,29,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 |
| InChiKey | FAWSUKOIROHXAP-NPMXOYFQSA-N |
| CID | 52912222 |
| Short Description | BET proteins inhibitor |
References
- A Wyce et al. BET inhibition silences expression of MYCN and BCL2 and induces cytotoxicity in neuroblastoma tumor models. PLoS One. 2013 Aug 23;8(8):e72967.
- R Gosmini et al. The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor. J Med Chem. 2014 Oct 9;57(19):8111-31.
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