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| | DX3-213B Basic information |
| Product Name: | DX3-213B | | Synonyms: | DX3-213B;DX3-213B New;DX3-213B, 10 mM in DMSO;DX3-213B ，E1139 | | CAS: | 2749555-66-4 | | MF: | C20H28F2N2O5S2 | | MW: | 478.57 | | EINECS: | | | Product Categories: | | | Mol File: | 2749555-66-4.mol |  |
| | DX3-213B Chemical Properties |
| 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| |
| | DX3-213B Usage And Synthesis |
| 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 |
| | DX3-213B Preparation Products And Raw materials |
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