| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
DMU2105 selectively targets CYP1B1, a cytochrome P450 enzyme involved in the metabolism of drugs and carcinogens. The compound shows 74- and 120-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2, respectively.
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| ln Vitro |
DMU2105 (compound 7k) exhibits 74-fold and 120-fold selectivity for CYP1B1 relative to CYP1A1 and CYP1A2. Nevertheless, when DMU2105 was present, the EC50 decreased to 1 μM, suggesting that the cells had experienced toxicity, potentially due to CYP1B1 suppression. When treated with cisplatin and DMU2105 (10×IC50), untransfected cells (HEK293: pcDNA3.1) did not exhibit any significant decrease in cisplatin EC50 (8.5 μM ± 0.9) [1].
In vitro, DMU2105 (Compound 7k) demonstrates potent and selective inhibition of CYP1B1 with an IC₅0 of 10 nM. In CYP1B1-overexpressing cells treated with cisplatin, DMU2105 reduces the EC₅0 from 8.5 microM to 1 microM, indicating that CYP1B1 inhibition reverses cisplatin resistance. |
| ln Vivo |
In vivo data for DMU2105 are limited. As a selective CYP1B1 inhibitor, the compound is expected to modulate CYP1B1-mediated drug metabolism and has potential applications in overcoming chemoresistance. Detailed in vivo studies are available in the primary literature.
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| Enzyme Assay |
For in vitro enzyme binding assays, DMU2105 is evaluated using recombinant CYP1B1 and CYP1A1 enzymes in Sacchrosome™-based assays. The compound is incubated with the enzyme and a suitable substrate, and inhibitory activity is measured by the reduction in enzyme activity. IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cellular assays, DMU2105 is dissolved in DMSO and applied to CYP1B1-overexpressing cell lines such as HEK293 cells. Cells are treated with cisplatin in the presence or absence of DMU2105, and cell viability is assessed using standard cytotoxicity assays (e.g., MTT). The compound is typically used at 10× IC₅0 concentrations.
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| Animal Protocol |
In vivo animal studies with DMU2105 typically involve oral administration in rodent models to evaluate CYP1B1 inhibition and its effects on drug metabolism and tumor growth. Detailed protocols are described in the primary literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for DMU2105 are limited. The compound has a molecular weight of 259.31 and is soluble in DMSO at 33.33 mg/mL. For in vivo formulations, DMU2105 can be prepared in 10% DMSO + 90% corn oil (≥3.33 mg/mL) or 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline (2.67 mg/mL).
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| Toxicity/Toxicokinetics |
Toxicology data for DMU2105 are not extensively reported. In CYP1B1-overexpressing cells, DMU2105 treatment may induce toxicity mediated by CYP1B1 inhibition. The compound is intended for research use only and should be handled with appropriate safety precautions.
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| References | |
| Additional Infomation |
DMU2105 (CAS#: 1821143-79-6) has the molecular formula C1₈H13NO and molecular weight 259.31. The chemical name is (2E)-3-(naphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one. It is supplied as a research reagent and is not approved for human therapeutic use.
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| Molecular Formula |
C18H13NO
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|---|---|
| Molecular Weight |
259.301924467087
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| Exact Mass |
259.099
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| CAS # |
1821143-79-6
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| Related CAS # |
(E/Z)-DMU2105;1031063-36-1
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| PubChem CID |
8854335
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
20
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| Complexity |
362
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C=NC=CC=1)/C=C/C1=CC=C2C=CC=CC2=C1
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| InChi Key |
VWBDGXJRQZDLRV-CSKARUKUSA-N
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| InChi Code |
InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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| Chemical Name |
(E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one
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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 : ~33.33 mg/mL (~128.54 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.33 mg/mL (12.84 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 33.3 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: 2.67 mg/mL (10.30 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 26.7 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 | 3.8565 mL | 19.2827 mL | 38.5654 mL | |
| 5 mM | 0.7713 mL | 3.8565 mL | 7.7131 mL | |
| 10 mM | 0.3857 mL | 1.9283 mL | 3.8565 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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