| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PfHT1 (Plasmodium falciparum hexose transporter).
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|---|---|
| ln Vitro |
MMV009085 has an IC50 of 212±39 μM for blocking PfHT-1 transport activity and an EC50 of 1.23±0.04 μM and 0.720±0.05 μM for blocking the growth of Dd2 and 3D7, respectively. Furthermore, MMV009085's CC50 values on HepG2 and HEK293T cells are 1.92±0.85 μM and 2.46±0.03 μM, respectively[1]. In the assay on the uptake of glucose by free parasites, MMV009085 demonstrated an IC50 of 2.6 μM; its EC50 for preventing Plasmodium falciparum 3D7 growth in vitro was 0.987 μM, and it did so via blocking PfHT (EC50=0.795 μM) [1].
MMV009085 blocks PfHT-1 transport activity with an IC50 of 212+/-39 uM; it inhibits the growth of 3D7 and Dd2 strains of malaria parasites with EC50 values of 1.23+/-0.04 uM and 0.720+/-0.05 uM, respectively. Cytotoxicity (CC50) on HEK293T and HepG2 cells is 2.46+/-0.03 uM and 1.92+/-0.85 uM, respectively. |
| ln Vivo |
No detailed in vivo anti-malarial efficacy data available in open sources; as a potent PfHT1 inhibitor, it is expected to demonstrate activity in mouse models of P. falciparum or P. berghei infection when evaluated in vivo, with further studies needed to confirm its oral efficacy and safety profile.
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| Enzyme Assay |
Not fully detailed; typically, hexose transporter inhibition assays are performed using Xenopus laevis oocytes expressing human or parasite transporters, measuring uptake of radiolabeled 3H-2-deoxy-D-glucose in the presence of test compounds; IC50 values are determined by non-linear regression.
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| Cell Assay |
Parasite growth inhibition assays are typically performed using P. falciparum 3D7 or Dd2 strains cultured in human red blood cells in RPMI medium; after 48-72 hours of incubation with serial compound dilutions, parasite growth is quantified by SYBR Green I fluorescence or flow cytometry, and EC50 values are calculated.
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| Animal Protocol |
Mouse models of malaria are used for in vivo efficacy studies: mice are infected with P. falciparum (in immunocompromised models) or P. berghei, then treated with compound via oral or intraperitoneal administration; parasitemia is monitored by blood smear microscopy.
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| ADME/Pharmacokinetics |
PK properties not fully detailed; as a potential oral antimalarial, key parameters such as bioavailability, half-life, and plasma exposure would be determined in rodent PK studies; no published human PK data available as the compound remains in preclinical stage.
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| Toxicity/Toxicokinetics |
Toxicological profile not fully characterized; preliminary cytotoxicity data indicate some toxicity against HEK293T and HepG2 cells (CC50 of ~2-2.5 uM), suggesting a narrow therapeutic window; comprehensive in vivo toxicity studies are needed.
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| References | |
| Additional Infomation |
MMV009085 is a research compound targeting the parasite hexose transporter as a novel antimalarial approach; it is still in preclinical stage and has not entered clinical trials; no FDA or EMA approval has been granted; further optimization is required to improve selectivity and reduce mammalian cell toxicity.
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| Molecular Formula |
C22H22N2O6
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|---|---|
| Molecular Weight |
410.419886112213
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| Exact Mass |
410.147
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| CAS # |
298217-59-1
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| PubChem CID |
3130863
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| Appearance |
Off-white to pink solid powder
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| LogP |
1.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
616
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
XZBVMYTVRGGDKI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22N2O6/c25-11-3-1-9-23-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(23)28)22(30)24(21(15)29)10-2-4-12-26/h5-8,25-26H,1-4,9-12H2
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| Chemical Name |
6,13-bis(4-hydroxybutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~243.65 mM)
H2O : < 0.1 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 10 mg/mL (24.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 100.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4365 mL | 12.1826 mL | 24.3653 mL | |
| 5 mM | 0.4873 mL | 2.4365 mL | 4.8731 mL | |
| 10 mM | 0.2437 mL | 1.2183 mL | 2.4365 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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