Monomethyl kolavateCAS# 24513-41-5 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 24513-41-5 | SDF | Download SDF |
PubChem ID | 11462192 | Appearance | Powder |
Formula | C21H32O4 | M.Wt | 348.5 |
Type of Compound | Diterpenoids | Storage | Desiccate at -20°C |
Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
Chemical Name | (4aR,5S,6R,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid | ||
SMILES | CC1CCC2(C(C1(C)CCC(=CC(=O)OC)C)CCC=C2C(=O)O)C | ||
Standard InChIKey | CCDSRPQULZAXRF-LIECZFJOSA-N | ||
Standard InChI | InChI=1S/C21H32O4/c1-14(13-18(22)25-5)9-11-20(3)15(2)10-12-21(4)16(19(23)24)7-6-8-17(20)21/h7,13,15,17H,6,8-12H2,1-5H3,(H,23,24)/b14-13+/t15-,17-,20+,21+/m1/s1 | ||
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 | 1. Monomethyl kolavate is a power Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH) inhibitor, with an IC50 value of 12uM. |
Targets | Antifection |
Monomethyl kolavate Dilution Calculator
Monomethyl kolavate Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 2.8694 mL | 14.3472 mL | 28.6944 mL | 57.3888 mL | 71.736 mL |
5 mM | 0.5739 mL | 2.8694 mL | 5.7389 mL | 11.4778 mL | 14.3472 mL |
10 mM | 0.2869 mL | 1.4347 mL | 2.8694 mL | 5.7389 mL | 7.1736 mL |
50 mM | 0.0574 mL | 0.2869 mL | 0.5739 mL | 1.1478 mL | 1.4347 mL |
100 mM | 0.0287 mL | 0.1435 mL | 0.2869 mL | 0.5739 mL | 0.7174 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 and in Vitro Activity of Novel Natural Inhibitors of Trypanosoma brucei Glyceraldehyde-3-phosphate-dehydrogenase.[Pubmed:26404225]
Molecules. 2015 Sep 3;20(9):16154-69.
As part of our ongoing efforts to identify natural products with activity against pathogens causing neglected tropical diseases, we are currently performing an extensive screening of natural product (NP) databases against a multitude of protozoan parasite proteins. Within this project, we screened a database of NPs from a commercial supplier, AnalytiCon Discovery (Potsdam, Germany), against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH), a glycolytic enzyme whose inhibition deprives the parasite of energy supply. NPs acting as potential inhibitors of the mentioned enzyme were identified using a pharmacophore-based virtual screening and subsequent docking of the identified hits into the active site of interest. In a set of 700 structures chosen for the screening, 13 (1.9%) were predicted to possess significant affinity towards the enzyme and were therefore tested in an in vitro enzyme assay using recombinant TbGAPDH. Nine of these in silico hits (69%) showed significant inhibitory activity at 50 microM, of which two geranylated benzophenone derivatives proved to be particularly active with IC50 values below 10 microM. These compounds also showed moderate in vitro activity against T. brucei rhodesiense and may thus represent interesting starting points for further optimization.