| 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 |
IC50: 0.60 μM (rat TrxR1)[1]
DVD-445 specifically targets thioredoxin reductase 1 (TrxR1), a key enzyme in the thioredoxin system, which is crucial for maintaining cellular redox homeostasis. As a covalent inhibitor, DVD-445 irreversibly binds to the active site of TrxR1, inhibiting its activity. This disruption leads to increased oxidative stress, which can selectively trigger apoptosis in cancer cells, making it a target for oncology research. |
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| ln Vitro |
In SH-SY5Y, U87, HaCaT, and PBMCs, DVD-445 (Compound 7) exhibits cytotoxic effects with IC50 values of 10.99 μM, 9.70 μM, 8.30 μM, and 55.71 μM, in that order[1].
In vitro, DVD-445 is a potent inhibitor of rat TrxR1 with an IC50 of 0.60 microM. It exhibits cytotoxic effects on a panel of human cell lines, including SH-SY5Y neuroblastoma cells (IC50 = 10.99 microM), U87 glioblastoma cells (IC50 = 9.70 microM), HaCaT keratinocytes (IC50 = 8.30 microM), and peripheral blood mononuclear cells (PBMCs, IC50 = 55.71 microM). These results demonstrate its selective anti-proliferative activity against cancer and transformed cells. |
| ln Vivo |
Detailed published in vivo data for DVD-445 is limited as it is a research tool. However, as a potent TrxR1 inhibitor, it has promising anticancer applications. In vivo activity would be assessed in animal models, where it is hypothesized to inhibit tumor growth by inducing oxidative stress and apoptosis. The compound is available for research use, and its formulation for in vivo studies would require careful selection of a suitable vehicle to ensure solubility and bioavailability.
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| Enzyme Assay |
For in vitro enzyme assays, DVD-445 is dissolved in DMSO to prepare a stock solution, which is then diluted in an appropriate assay buffer. The compound is incubated with purified rat TrxR1 enzyme. The enzymatic activity is measured by following the reduction of DTNB (5,5'-dithiobis-(2-nitrobenzoic acid)) in the presence of NADPH. The rate of reaction is monitored spectrophotometrically at 412 nm, and the IC50 is calculated from the inhibition curve.
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| Cell Assay |
In vitro cytotoxicity is assessed using standard cell viability assays such as MTT or CellTiter-Glo. Cells are seeded in 96-well plates and cultured overnight. They are then treated with various concentrations of DVD-445 (e.g., 0.1-100 microM) for 24-72 hours. After treatment, the viability reagent is added, and the absorbance or luminescence is measured, with IC50 values calculated from dose-response curves. Induction of oxidative stress can be measured using a fluorescent probe such as DCFH-DA.
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| Animal Protocol |
In vivo animal experiments with DVD-445 would typically be performed in rodents (e.g., mice or rats) bearing subcutaneous tumor xenografts (e.g., U87 or SH-SY5Y). The compound would be formulated in a suitable vehicle (e.g., 10% DMSO in corn oil or a mixture of PEG300 and saline) and administered intraperitoneally (i.p.) or intravenously (i.v.) at a specific dose and schedule (e.g., daily or every other day). Tumor volume is measured periodically with calipers, and body weight is monitored to assess tolerability. At the end of the study, tumors are excised for analysis of TrxR1 inhibition and apoptosis markers.
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| ADME/Pharmacokinetics |
As a research compound, detailed pharmacokinetic (PK) parameters for DVD-445 are not extensively published. The compound has a molecular weight of 458.5 and is soluble in DMSO (80 mg/mL). For in vivo studies, its formulation would be critical for bioavailability. Standard practice would involve evaluating its absorption, distribution, metabolism, and excretion (ADME) profile in a preclinical setting to determine its half-life, clearance, and volume of distribution before efficacy studies.
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| Toxicity/Toxicokinetics |
Specific toxicological data for DVD-445 is not readily available in public sources. As a covalent inhibitor of a cellular redox enzyme, its toxicological profile would be an important part of its preclinical evaluation. Standard laboratory safety precautions for handling cytotoxic research compounds should be observed, including the use of gloves, lab coats, and safety glasses. The compound is for research use only and not intended for human consumption.
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| References | |
| Additional Infomation |
DVD-445 is not an approved drug and is strictly a research-use biochemical. It has no approved therapeutic status. It is used as a biochemical tool to study the role of thioredoxin reductase 1 (TrxR1) in cancer biology, oxidative stress, and cell death pathways. As a potent and covalent inhibitor, it is particularly useful for target validation studies aimed at developing novel anticancer therapies that exploit the elevated oxidative stress in tumor cells.
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| Molecular Formula |
C25H28F2N2O4
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|---|---|
| Molecular Weight |
458.497633934021
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| Exact Mass |
458.201
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| CAS # |
2375846-41-4
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| PubChem CID |
139035059
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
33
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| Complexity |
691
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C=CC(=CC=1)C(C(NC(C)(C)C)=O)N(C)CCOC(/C=C/C(C1C=CC(=CC=1)F)=O)=O
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| InChi Key |
RJGWWNVHLMPYEN-BUHFOSPRSA-N
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| InChi Code |
InChI=1S/C25H28F2N2O4/c1-25(2,3)28-24(32)23(18-7-11-20(27)12-8-18)29(4)15-16-33-22(31)14-13-21(30)17-5-9-19(26)10-6-17/h5-14,23H,15-16H2,1-4H3,(H,28,32)/b14-13+
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| Chemical Name |
2-[[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-methylamino]ethyl (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate
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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 (218.10 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1810 mL | 10.9051 mL | 21.8103 mL | |
| 5 mM | 0.4362 mL | 2.1810 mL | 4.3621 mL | |
| 10 mM | 0.2181 mL | 1.0905 mL | 2.1810 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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