DMT1 blocker 1 is a novel and potent blocker of divalent metal transporter 1 (DMT1) with potential use as iron overload therapeutics. It inhibits metal transporter 1 with IC50 of 0.64 μM
Physicochemical Properties
| Molecular Formula | C16H14N4O2 |
| Molecular Weight | 294.30796289444 |
| Exact Mass | 294.111 |
| CAS # | 1354790-56-9 |
| PubChem CID | 25098135 |
| Appearance | White to pink solid powder |
| LogP | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 22 |
| Complexity | 483 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QJEBTCLOCMTSJU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21) |
| Chemical Name | 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-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) |
Biological Activity
| References | Cadieux JA, et al. Synthesis and biological evaluation of substituted pyrazoles as blockers of divalent metal transporter 1 (DMT1). Bioorg Med Chem Lett. 2012 Jan 1;22(1):90-5. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~169.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.83 mg/mL (2.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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. Solubility in Formulation 2: ≥ 0.83 mg/mL (2.82 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 8.3 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 3: ≥ 0.83 mg/mL (2.82 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 8.3 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 | 3.3978 mL | 16.9889 mL | 33.9778 mL | |
| 5 mM | 0.6796 mL | 3.3978 mL | 6.7956 mL | |
| 10 mM | 0.3398 mL | 1.6989 mL | 3.3978 mL |