| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
Plasmodium
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|---|---|
| ln Vitro |
DSM502 has inhibitory activity with no inhibition of the human enzyme against P. falciparum DHODH (PfDHODH, IC50=20 nM), P. vivax DHODH (PvDHODH, IC50=14 nM), and Pf3D7 cells (EC50=14 nM)[1].
|
| ln Vivo |
In contrast to the 85% clearance in the GSK research, DSM502 (10 and 50 mg/kg; po once daily for 4 days) results in 97% parasite clearance in a confirmatory SCID study[1]. Mouse studies with DSM502 (18.3 and 50 mg/kg; a single po) show high oral bioavailability (>100%, >100%), apparent t1/2 (2.6, 3.6 h), and Cmax (8.4, 42.3 μM)[1]. In mice, Vss (1.2 L/kg), plasma clearance (26.1 mL/min/kg), and apparent t1/2 (2.8 h) are all demonstrated by DSM502 (2.8 mg/kg; a single IV)[1].
|
| Animal Protocol |
Animal/Disease Models: SCID (severe combined immunodeficient) mouse (23-36 g) were inoculated with parasites[1]
Doses: 10 and 50 mg/kg Route of Administration: Po one time/day for 4 days starting on day 3 after mice had been inoculated with parasites Experimental Results: Resulted in 97% parasite clearance compared to 85% clearance in the GSK study. The 10 mg/kg mouse died on day 5. |
| References |
|
| Molecular Formula |
C16H16F3N3O
|
|---|---|
| Molecular Weight |
323.31
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| Exact Mass |
323.124
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| CAS # |
2426616-55-7
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| PubChem CID |
154699462
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| Appearance |
White to off-white solid powder
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| LogP |
3
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
439
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C=C(CC2=CC=C(C(F)(F)F)N=C2)C(C)=C1C(NC1CC1)=O
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| InChi Key |
AFOVOYRODSYDMK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)
|
| Chemical Name |
N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 250 mg/mL (773.25 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.43 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0930 mL | 15.4650 mL | 30.9301 mL | |
| 5 mM | 0.6186 mL | 3.0930 mL | 6.1860 mL | |
| 10 mM | 0.3093 mL | 1.5465 mL | 3.0930 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.
Products are for research use only; We do not sell to patients
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