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| Targets |
DFP00173 primarily targets aquaporin 3 (AQP3), a membrane protein that facilitates the transport of water and glycerol across cell membranes. AQP3 is involved in various physiological processes including skin hydration, cell migration, and wound healing. By inhibiting AQP3, DFP00173 modulates glycerol and water permeability. The compound shows selectivity for AQP3 over homologous AQP subtypes AQP7 and AQP9, making it a valuable tool for studying AQP3-specific functions.
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| ln Vitro |
DFP00173 has an IC50 of roughly 0.2 µM, which decreases the glycerol permeability of human red blood cells[1].
In vitro, DFP00173 functions as a potent and selective AQP3 inhibitor with an IC50 of approximately 0.1-0.4 μM for both mouse and human AQP3. It reduces glycerol permeability in human erythrocytes with an IC50 of approximately 0.2 μM. The compound demonstrates selectivity for AQP3 compared to homologous AQP subtypes AQP7 and AQP9. Its activity is typically evaluated using cell swelling assays or glycerol permeability measurements in AQP3-expressing cells. |
| ln Vivo |
In vivo, DFP00173 has been developed for laboratory research to study the role of AQP3 in various physiological and pathological processes. By inhibiting AQP3, the compound modulates water and glycerol transport in tissues. It has been investigated for potential applications in conditions involving AQP3 dysregulation, including skin disorders, cancer, and metabolic diseases. However, specific in vivo efficacy data, including dosing regimens and animal models, are not extensively detailed in the available literature. Further studies are needed to fully characterize its in vivo pharmacological profile.
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| Enzyme Assay |
The cell-free assay for DFP00173 involves evaluating its inhibitory activity against AQP3 using liposome-based or reconstituted systems. Glycerol or water permeability is measured using stopped-flow light scattering or fluorescence quenching techniques. Inhibition is assessed by incubating AQP3-containing proteoliposomes with varying concentrations of DFP00173 and measuring residual permeability. IC50 values (0.1-0.4 μM) are determined from dose-response curves. Selectivity is assessed by testing against AQP7 and AQP9.
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| Cell Assay |
For in vitro cellular assays, DFP00173 is typically dissolved in DMSO and diluted in cell culture medium. Cells expressing AQP3 are treated with various concentrations of the compound. Glycerol permeability is measured using fluorescent glycerol analogs or by monitoring cell volume changes in response to osmotic gradients. The compound's ability to inhibit AQP3-mediated transport is assessed. Cytotoxicity is evaluated using standard cell viability assays. Human erythrocytes are used to assess glycerol permeability inhibition (IC50 ≈ 0.2 μM).
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| Animal Protocol |
In vivo animal studies for DFP00173 are conducted in mouse models to evaluate the role of AQP3 in various diseases. The compound is administered via various routes including intraperitoneal or oral administration. Tissue samples are collected for analysis of water and glycerol content. Disease progression is monitored using appropriate endpoints. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. Standard protocols for evaluating AQP3 inhibitors would typically be employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of DFP00173 include a molecular weight of 332.16 g/mol and molecular formula C11H7Cl2N3O3S. The compound has a purity of ≥99% and is soluble in DMSO (100 mg/mL, 301.06 mM). It is insoluble in water. For in vivo use, the compound can be formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline at 2 mg/mL. The compound is stable as a powder at -20°C for up to 3 years and in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
The toxicity profile of DFP00173 has not been extensively characterized in published literature. As an AQP3 inhibitor, the compound is expected to have a manageable safety profile. Standard preclinical safety studies would include acute and sub-chronic toxicity assessments in rodent models. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
DFP00173 is a potent and selective aquaporin 3 (AQP3) inhibitor with an IC50 of approximately 0.1-0.4 μM for both mouse and human AQP3. It demonstrates selectivity for AQP3 compared to AQP7 and AQP9. DFP00173 reduces glycerol permeability in human erythrocytes with an IC50 of approximately 0.2 μM. The compound is a research tool for studying AQP3 function in skin biology, cancer, and metabolism. It has not entered clinical trials and is strictly for research purposes.
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| Molecular Formula |
C11H7CL2N3O3S
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|---|---|
| Molecular Weight |
332.162578821182
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| Exact Mass |
330.958
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| CAS # |
672286-03-2
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| PubChem CID |
2806296
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
372
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC=C(C=1NC(NC1=CSC(=C1)[N+](=O)[O-])=O)Cl
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| InChi Key |
AATXXTHMITUAOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H7Cl2N3O3S/c12-7-2-1-3-8(13)10(7)15-11(17)14-6-4-9(16(18)19)20-5-6/h1-5H,(H2,14,15,17)
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| Chemical Name |
1-(2,6-dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea
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| Synonyms |
DFP00173; DFP-00173
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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 (~301.06 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.26 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.26 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0106 mL | 15.0530 mL | 30.1060 mL | |
| 5 mM | 0.6021 mL | 3.0106 mL | 6.0212 mL | |
| 10 mM | 0.3011 mL | 1.5053 mL | 3.0106 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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