DeoxyvasicinoneCAS# 530-53-0 |
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Chemical structure
3D structure
| Cas No. | 530-53-0 | SDF | Download SDF |
| PubChem ID | 68261 | Appearance | Powder |
| Formula | C11H10N2O | M.Wt | 186.2 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | ||
| SMILES | C1CC2=NC3=CC=CC=C3C(=O)N2C1 | ||
| Standard InChIKey | VARHXCYGZKSOOO-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2 | ||
| 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. | ||
The herbs of Galium aparine L.
| Description | 1. Deoxyvasicinone derivatives can be considered as promising lead molecules for the development of more potent inhibitors of NEDD8-activating enzyme. |
Deoxyvasicinone Dilution Calculator
Deoxyvasicinone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 5.3706 mL | 26.8528 mL | 53.7057 mL | 107.4114 mL | 134.2642 mL |
| 5 mM | 1.0741 mL | 5.3706 mL | 10.7411 mL | 21.4823 mL | 26.8528 mL |
| 10 mM | 0.5371 mL | 2.6853 mL | 5.3706 mL | 10.7411 mL | 13.4264 mL |
| 50 mM | 0.1074 mL | 0.5371 mL | 1.0741 mL | 2.1482 mL | 2.6853 mL |
| 100 mM | 0.0537 mL | 0.2685 mL | 0.5371 mL | 1.0741 mL | 1.3426 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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Discovery of deoxyvasicinone derivatives as inhibitors of NEDD8-activating enzyme.[Pubmed:25196325]
Methods. 2015 Jan;71:71-6.
NEDD8-activating enzyme (NAE) controls the specific degradation of proteins regulated by cullin-RING ubiquitin E3 ligases, and has been considered as an attractive molecular target for the development of drugs against cancer. A pharmacophore model constructed from a training set of Deoxyvasicinone derivatives was used to screen 376 compounds from an analogue database. From the initial screening, the valine-linked Deoxyvasicinone derivative 9 and the N-isopropyl-linked Deoxyvasicinone derivative 10 emerged as the top scoring candidates. Compounds 9 and 10 showed micromolar potencies in both cell-free and cell-based systems, with selectivity for NAE over the related enzymes SAE and UAE. Molecular modelling analysis suggested that 9 and 10 may inhibit NAE by blocking the ATP-binding domain. Thus, these Deoxyvasicinone derivatives could be considered as promising lead molecules for the development of more potent inhibitors of NAE.
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