| Chemical Properties | Back Directory | [Boiling point ]
550.4±50.0 °C(Predicted) | [density ]
1.273±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: ≥ 250 mg/mL (843.68 mM) | [form ]
Solid | [pka]
9.09±0.10(Predicted) | [color ]
White to off-white | [InChIKey]
RFDVEAHRRMEOHK-UHFFFAOYSA-N | [SMILES]
CC1=NOC(C)=C1C2=CC(C(O)C3=CN=CC=C3)=CC(O)=C2 |
| Hazard Information | Back Directory | [Uses]
OXFBD04 is a potent and selective BRD4 inhibitor with an IC50 of 166?nM. OXFBD04 is a potent BET bromodomain ligand with additional modest affinity for the CREBBP bromodomain. OXFBD04 has anti-cancer activity[1]. | [Biological Activity]
OXFBD04 is a potent and selective inhibitor of BRD4(1) th at inhibits interactions of BRD4with the RelA subunit of NF-KB. OXFBD02 inhibits proliferation of various cancer cell lines including leukaemiabreastand renal cancer cell lines. | [in vivo]
OXFBD04 has optimised physicochemical properties (LE=0.43; LLE=5.74; SFI=5.96), and good metabolic stability (t1/2=388?min). OXFBD04 has CLint of 3.57 μL/min/mg[1].
| [IC 50]
BRD4: 166 nM (IC50) | [References]
[1] Jennings LE, et al. BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg Med Chem. 2018 Jul 15;26(11):2937-2957. DOI:10.1016/j.bmc.2018.05.003 |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|