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DX3-213B is a high efficiency oral inhibitor of activated oxidative phosphorylation complex I (OXPHOS complex I), with a semi-inhibitory concentration of 3.6nM. ATP generation is impaired, and IC50 is 11 nM.
Brand: BCM
Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.
Isomeric SMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N3CCC(CC3)(F)F
InChIKey: HLSJMSNPBRGRGL-MRXNPFEDSA-N
InChI: InChI=1S/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-/m1/s1
Attribute [Chem Name] (4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-propan-2-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone [Synonym] DX3-213B [CAS No.] 2749555-66-4 [Formula] C20H28F2N2O5S2 [Molecular] 478.57 [Form] A crystalline solid
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