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Results for "

X-ray crystal structure

" in MedChemExpress (MCE) Product Catalog:

5

Inhibitors & Agonists

3

Natural
Products

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-121690
    Semotiadil

    SD-3211

    		 Others Others
    Semotiadil is a novel calcium antagonist whose stereochemical structure was investigated by X-ray crystallography and circular dichroism spectroscopy. X-ray structural analysis was performed using its enantiomeric salts with (S)-(+)-mandelic acid (2); 1 (mandelate salt). The R absolute configuration of 1, which was previously determined by chemical transformation of an optically active synthetic precursor, was directly confirmed by this analysis. Hydrogen bonding, charge repulsion, and hydrophobic interactions that stabilize the crystal structure were observed in the crystals. Circular dichroism spectra of 1 (mandelate salt) and 1 (hydrofuranate salt) in ethanolic solution showed similar spectral patterns. The CD bands of each chromophore were unambiguously assigned, and the conformation of the benzothiazole ring was determined using the optical rotation rule. The X-ray and CD data confirmed the P conformation of the benzothiazole ring and the equatorial position of the 2-phenyl ring in both the crystal and ethanolic solution states. These findings are in good agreement with our previous results on the conformational analysis of 2-arylbenzothiazole derivatives.
    Semotiadil
  • HY-118267
    Lentinellic acid

    		Others Cancer
    Lentinellic acid is an antimicrobial and cytotoxic diterpenoid with biological activity. Lentinellic acid exerts its antimicrobial activity by inhibiting the growth of microorganisms. Lentinellic acid also shows inhibitory effects on tumor cells and has potential anticancer properties. The structure of lentinellic acid was determined by spectroscopic methods and single crystal X-ray analysis .
    Lentinellic acid
  • HY-121125
    Aucubigenin

    		Others Others
    Aucubigenin, the aglycone of the iridoid glycoside aucubin, has been characterized through X-ray diffraction analysis. Its crystal structure reveals monoclinic symmetry with specific conformations adopted by its cyclopentane and pyran rings. The study also determined the absolute configurations of both aucubin and aucubigenin. Significant O–H?O hydrogen bonding interactions were observed in the crystal lattices of both compounds, highlighting their structural stability and potential for intermolecular interactions .
    Aucubigenin
  • HY-120631A
    BMS-538305 hydrochloride

    		Others Others
    BMS-538305 hydrochloride is a potent and selective inhibitor of dipeptidyl peptidase IV (DPP-IV), exhibiting strong biological activity by forming a reversible covalent complex with the enzyme. BMS-538305 hydrochloride demonstrates its mechanism of action through the covalent attachment between the nitrile carbon of the inhibitor and the enzyme residue S630, as unveiled by the X-ray crystal structure analysis.
    BMS-538305 hydrochloride
  • HY-N11940
    Acetyl-binankadsurin A

    		HIV Protease Infection
    Acetyl-binankadsurin A (compound 5) is a lignan isolated from Kadsura longipedunculata. Acetyl-binankadsurin A has low inhibitory activity against HIV-1 protease, with IC50 >100 μg/mL .
    Acetyl-binankadsurin A

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