2. Search Result
Search Result
Results for "

QM/MM calculations

" in MedChemExpress (MCE) Product Catalog:

12

Inhibitors & Agonists

1

Fluorescent Dyes

2

Biochemical Assay Reagents

3

Natural
Products

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-45609
    L-Cysteine S-sulfate sodium hydrate

    		Drug Derivative Metabolic Disease
    L-Cysteine S-sulfate sodium hydrate is an S-sulfated derivative of L-cysteine (HY-Y0337). L-Cysteine S-sulfate sodium hydrate is the substrate for cystine lyase, it can be used in mass spectrometry and chromatography analyses .
    L-Cysteine S-sulfate sodium hydrate
  • HY-W007729
    Boc-L-Alaninol

    		Biochemical Assay Reagents Others
    Boc-L-Alaninol is a Boc-protected chiral amino alcohol. Boc-L-Alaninol can be used in the synthesis of optically active bipyridine-containing polymers .
    Boc-L-Alaninol
  • HY-69085
    4-Bromo-1H-indazole

    		Carbonic Anhydrase Others
    4-Bromo-1H-indazole is a carbonic anhydrase inhibitor, with an IC50 of 0.403 mM and a Ki of 0.383 mM against hCA-I, as well as an IC50 of 0.700 mM and a Ki of 0.935 mM against hCA-II. 4-Bromo-1H-indazole reduces the catalytic activity of human I and II isoforms of carbonic anhydrase .
    4-Bromo-1H-indazole
  • HY-D1752
    JC-9

    D-22421

    		 Fluorescent Dye Others
    JC-9 (D-22421) is a green-fluorescent probe used for ratiometric calculation of mitochondrial membrane potential.
    JC-9
  • HY-178150
    WEE1-IN-14

    		Wee1 Cancer
    WEE1-IN-14 (Compound 14) is a selective WEE1 inhibitor (IC50: 0.5 nM in L-RB-FEP calculations, 1.0 nM in ADP-Glo kinase assay). Inhibition of Wee1 in cancer cells disrupts the G2-M checkpoint, removes the regulatory controls on the cell cycle, and leads to early onset of mitotic failure followed by apoptosis of tumor cells. Therefore, WEE1-IN-14 is a useful tool for studying cancer biology .
    WEE1-IN-14
  • HY-N12964
    4-Hydroxycanthin-6-one

    		Others Others
    4-Hydroxycanthin-6-one is a novel quinoline alkaloid isolated from the stem bark of the tree Ailanthus altissima. Five other known compounds were also found in the study. The structures of the new compounds were determined by interpretation of physical and spectroscopic data, and their absolute configurations were determined by electronic circular dichroism spectroscopy and quantum chemical calculations. These compounds showed significant inhibitory activity against lipopolysaccharide (LPS)-induced nitric oxide (NO) production in RAW 264.7 cells, showing potential anti-inflammatory properties .
    4-Hydroxycanthin-6-one
  • HY-157015
    Antifungal agent 81

    		Fungal Infection
    Antifungal agent 81(G22)exhibitsexcellent in vitro antifungal activities against Valsa mali withIC50values of 0.48 mg/L. Antifungal agent 81also exhibits excellent in vivo protective againstV. maliat 40 mg/L .
    Antifungal agent 81
  • HY-161068
    hACE2/SP-IN-1

    		SARS-CoV Angiotensin-converting Enzyme (ACE) Infection
    hACE2/SP-IN-1 (compound 7a) is a dual inhibitor of hACE2 and coronavirus spike protein. hACE2/SP-IN-1 can bind to the spike protein and block cell entry, preventing SARS-CoV-2 from infecting human cells .
    hACE2/SP-IN-1
  • HY-N9664
    Crepidiaside B

    		SARS-CoV Virus Protease Infection
    Crepidiaside B is a plant-derived active component that can be found in Cichorium intybus. Crepidiaside B acts as a SARS-CoV-2 spike glycoprotein inhibitor and is used in research related to coronavirus disease 2019 (COVID-19) .
    Crepidiaside B
  • HY-W543267
    1,3,5-Tri(1H-1,2,3-triazol-5-yl)benzene

    		MOFs Drug Intermediate Others
    1,3,5-Tri (1H-1,2,3-triazol-5-yl) benzene is a tritopic triazole-bridged ligand (H3BTTri) that forms a sodalite-type metal-organic framework with coordinatively unsaturated cobalt (II) centers. This framework exhibits selective O2-binding capacity over N2. 1,3,5-Tri (1H-1,2,3-triazol-5-yl) benzene can be used for the synthesis of metal-organic framework (MOF)-related materials .
    1,3,5-Tri(1H-1,2,3-triazol-5-yl)benzene
  • HY-W077690
    3-(2-Hydroxyethyl)quinazoline-2,4(1H,3H)-dione

    		Bacterial Infection
    3-(2-Hydroxyethyl)quinazoline-2,4(1H,3H)-dione is an metal chelating agent and anti-bacterial agent. 3-(2-Hydroxyethyl)quinazoline-2,4(1H,3H)-dione shows inhibitory activity against gram-positive and gram-negative bacterial strains .
    3-(2-Hydroxyethyl)quinazoline-2,4(1H,3H)-dione
  • HY-181824
    Cholera toxin-IN-1

    		Bacterial Infection
    Cholera toxin-IN-1 is a potent competitive inhibitor of cholera toxin B subunit (CTB) with an IC50 value of 11.78 μM. Cholera toxin-IN-1 forms stable hydrogen bonds and hydrophobic interactions. Cholera toxin-IN-1 competitively blocks the binding of CTB to GM1 ganglioside. Cholera toxin-IN-1 can be used for the research of cholera .
    Cholera toxin-IN-1

Inquiry Online

Your information is safe with us. * Required Fields.

Salutation

  

Country or Region *

Applicant Name *

 

Organization Name *

Department *

     

Email Address *

 

Product Name *

Cat. No.

  

Requested quantity *

Phone Number *

     

Remarks

Inquiry Online

Inquiry Information

Product Name:
Cat. No.:
Quantity:
MCE Japan Authorized Agent: