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Computational studies

" in MedChemExpress (MCE) Product Catalog:
Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-19094
    DuP-532

    		Angiotensin Receptor Cardiovascular Disease
    DuP-532 is an angiotensin type 1 receptor antagonist with potential activity in the suppression of hypertension and heart failure. DuP-532 can react with a range of aryl and heteroaryl halides to form perfluoroalkyl(hetero)arenes in moderate to high yields. Computational studies of DuP-532 suggest that coordination of a second phenyl ring ligand may lower the energy barrier for decarboxylation of perfluorocarboxylates, thereby promoting the perfluoroalkylation reaction .
    DuP-532
  • HY-178945
    KOR agonist 7

    		Opioid Receptor Interleukin Related TNF Receptor Sigma Receptor Neurological Disease Inflammation/Immunology
    KOR agonist 7 (Compound 29) is a highly selective κ-opioid receptor (KOR) agonist with a Ki of 138 nM. KOR agonist 7 shows no activity at μ- and δ-opioid receptors or σ1 receptor, and exhibits extremely low affinity for σ2 receptor (Ki = 2.8 μM). KOR agonist 7 significantly reduces the secretion of pro-inflammatory cytokines such as IL-6, TNF-α, and IFN-γ, while increasing the production of the anti-inflammatory cytokine IL-10. KOR agonist 7 downregulates the expression of the pro-inflammatory M1 macrophage marker CD80 and upregulates the anti-inflammatory M2 macrophage marker CD163. KOR agonist 7 holds potential for applications in analgesia and immune modulation .
    KOR agonist 7
  • HY-19267
    Ro-48-6791

    		Opioid Receptor Others
    Ro-48-6791 is a compound that may have the activity of activating opioid receptors. Computational studies have found that it may bind to and activate opioid receptors, and may mediate or increase their related physiological effects and side effects.
    Ro-48-6791

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