QingdainoneCAS# 97457-31-3 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 97457-31-3 | SDF | Download SDF |
PubChem ID | 3035728 | Appearance | Purple powder |
Formula | C23H13N3O2 | M.Wt | 363.4 |
Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
Synonyms | Candidine | ||
Solubility | Soluble in chloroform and DMSO | ||
Chemical Name | (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one | ||
SMILES | C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2 | ||
Standard InChIKey | DXENDDMPDZMHSQ-FMQUCBEESA-N | ||
Standard InChI | InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+ | ||
General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. |
Description | Qingdainone is active in test on melanoma B, it also shows inhibitory action against Lewis lung carcinoma in mice. |
Qingdainone Dilution Calculator
Qingdainone Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 2.7518 mL | 13.7589 mL | 27.5179 mL | 55.0358 mL | 68.7947 mL |
5 mM | 0.5504 mL | 2.7518 mL | 5.5036 mL | 11.0072 mL | 13.7589 mL |
10 mM | 0.2752 mL | 1.3759 mL | 2.7518 mL | 5.5036 mL | 6.8795 mL |
50 mM | 0.055 mL | 0.2752 mL | 0.5504 mL | 1.1007 mL | 1.3759 mL |
100 mM | 0.0275 mL | 0.1376 mL | 0.2752 mL | 0.5504 mL | 0.6879 mL |
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. |
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In Silico Identification of Potential Natural Product Inhibitors of Human Proteases Key to SARS-CoV-2 Infection.[Pubmed:32842606]
Molecules. 2020 Aug 22;25(17). pii: molecules25173822.
Presently, there are no approved drugs or vaccines to treat COVID-19, which has spread to over 200 countries and at the time of writing was responsible for over 650,000 deaths worldwide. Recent studies have shown that two human proteases, TMPRSS2 and cathepsin L, play a key role in host cell entry of SARS-CoV-2. Importantly, inhibitors of these proteases were shown to block SARS-CoV-2 infection. Here, we perform virtual screening of 14,011 phytochemicals produced by Indian medicinal plants to identify natural product inhibitors of TMPRSS2 and cathepsin L. AutoDock Vina was used to perform molecular docking of phytochemicals against TMPRSS2 and cathepsin L. Potential phytochemical inhibitors were filtered by comparing their docked binding energies with those of known inhibitors of TMPRSS2 and cathepsin L. Further, the ligand binding site residues and non-covalent interactions between protein and ligand were used as an additional filter to identify phytochemical inhibitors that either bind to or form interactions with residues important for the specificity of the target proteases. This led to the identification of 96 inhibitors of TMPRSS2 and 9 inhibitors of cathepsin L among phytochemicals of Indian medicinal plants. Further, we have performed molecular dynamics (MD) simulations to analyze the stability of the protein-ligand complexes for the three top inhibitors of TMPRSS2 namely, Qingdainone, edgeworoside C and adlumidine, and of cathepsin L namely, ararobinol, (+)-oxoturkiyenine and 3alpha,17alpha-cinchophylline. Interestingly, several herbal sources of identified phytochemical inhibitors have antiviral or anti-inflammatory use in traditional medicine. Further in vitro and in vivo testing is needed before clinical trials of the promising phytochemical inhibitors identified here.