MD2-IN-1

MD2-IN-1 is a chalcone derivative and an inhibitor of the interaction between myeloid differentiation 2 (MD-2) and LPS. It inhibits the interaction between MD-2 and LPS in a cell-free assay when used at a concentration of 0.1 µM. It inhibits LPS-induced increases in the levels of Tnf-alpha and Il-6 secreted from isolated and washed mouse peritoneal macrophages (MPMs, IC50s = 4.27 and 2.09 µM, respectively). MD2-IN-1 (5 and 20 µM) inhibits LPS-induced Nf-kappaB DNA binding in MPMs. It inhibits the growth of HepG2 hepatocellular, A549 lung, HT-29 colon, HeLa cervical, MDA-MB-231 breast, and A2780 ovarian cancer cells (GI50s= 0.19, 0.16, 0.062, 0.019, 0.065, and 0.32 µM, respectively). MD2-IN-1 (10 mg/kg) reduces tumor volume and weight in a HeLa mouse xenograft model. In vivo, MD2-IN-1 (20 mg/kg per day) prevents LPS-induced increases in bronchoalveolar lavage fluid (BALF) total protein levels and CD68+ macrophage and neutrophil infiltration in a mouse model of LPS-induced acute lung injury. It also reduces myeloperoxidase (MPO) activity in isolated neutrophils in the same model.Formal Name: 1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one. CAS Number: 111797-22-9. Synonyms: Myeloid Differentiation 2 Inhibitor 1. Molecular Formula: C20H22O6. Formula Weight: 358.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Soluble. SMILES: O=C(C1=CC=C(C(OC)=C1)OC)C=CC2=CC(OC)=C(C(OC)=C2)OC. InChi Code: InChI=1S/C20H22O6/c1-22-16-9-7-14(12-17(16)23-2)15(21)8-6-13-10-18(24-3)20(26-5)19(11-13)25-4/h6-12H,1-5H3. InChi Key: ZKYRYELHPFTZTI-UHFFFAOYSA-N.