| Chemical Properties | Back Directory | [solubility ]
DMF:2.0(Max Conc. mg/mL);4.18(Max Conc. mM)
DMSO:3.0(Max Conc. mg/mL);6.27(Max Conc. mM)
Ethanol:2.0(Max Conc. mg/mL);4.18(Max Conc. mM) | [form ]
A crystalline solid | [color ]
White to off-white | [InChI]
InChI=1/C20H28F2N2O5S2/c1-15(2)30(26,27)17-5-7-18(8-6-17)31(28,29)24-11-3-4-16(14-24)19(25)23-12-9-20(21,22)10-13-23/h5-8,15-16H,3-4,9-14H2,1-2H3/t16-/s3 | [InChIKey]
HLSJMSNPBRGRGL-QEIABERDNA-N | [SMILES]
S(C1C=CC(S(=O)(=O)C(C)C)=CC=1)(N1CCC[C@@H](C(N2CCC(F)(F)CC2)=O)C1)(=O)=O |&1:17,r| |
| Hazard Information | Back Directory | [Description]
DX3-213B is a potent Oxidative Phosphorylation Inhibitor (MIA PaCa-2 GI50 = 11 nM) for the Treatment of Pancreatic Cancer. DX3-213B disrupts adenosine triphosphate (ATP) generation, inhibits complex I function, and results in the growth inhibition of pancreatic cancer cells in the low nanomolar range. Importantly, the oral administration of DX3-213B resulted in significant in vivo efficacy in a pancreatic cancer syngeneic model without obvious toxicity. | [Uses]
DX3-213B is a highly potent, orally active oxidative phosphorylation (OXPHOS) complex I inhibitor (IC50=3.6 nM). DX3-213B impairs ATP generation (IC50=11 nM), and blocks MIA PaCa-2 cell growth (GI50=11 nM). DX3-213B is used for the research of the pancreatic cancer[1]. | [References]
[1] Xue D, et al. Multiparameter Optimization of Oxidative Phosphorylation Inhibitors for the Treatment of Pancreatic Cancer. J Med Chem. 2022;65(4):3404-3419. DOI:10.1021/acs.jmedchem.1c01934 |
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