| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
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| Targets |
DMU2139 selectively targets CYP1B1, a member of the cytochrome P450 enzyme family involved in the metabolism of endogenous and exogenous compounds, including drugs and carcinogens. The compound shows very high selectivity for CYP1B1 over CYP1A1, CYP1A2, CYP3A4, CYP2D6, CYP2C9, and CYP2C19.
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| ln Vitro |
DMU2139 (6j) has a selectivity of 88 and 133 times for CYP1B1 relative to CYP1A1 and CYP1A2, respectively. When CYP1B1-expressing cells were exposed to DMU2139, the EC50 decreased from 61 μM to 8.3 μM (without the need for any inhibitor). The CYP1B1 protein cannot be expressed in the presence of DMU2139 in cells transfected with an empty plasmid without the CYP1B1 gene since the EC50 value is 8.7 μM, which is close to the EC50 of cisplatin [1].
In vitro, DMU2139 demonstrates potent inhibition of CYP1B1 with an IC₅0 of 9 nM, and shows 88- to 133-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2. In CYP1B1-expressing cells treated with cisplatin, the presence of DMU2139 reverses the EC₅0 from 61 microM back to 8.3 microM. |
| ln Vivo |
In vivo data for DMU2139 are limited. As a selective CYP1B1 inhibitor, the compound is expected to modulate CYP1B1-mediated drug metabolism and potentially overcome drug resistance mechanisms in cancer therapy. Detailed in vivo pharmacokinetic and efficacy studies are available in the primary literature.
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| Enzyme Assay |
For in vitro enzyme binding assays, DMU2139 is typically evaluated using recombinant CYP1B1 and CYP1A1 enzymes in Sacchrosome™-based assays. The compound is incubated with the enzyme and a fluorescent or luminescent substrate, and the inhibitory activity is determined by measuring the reduction in metabolite formation. IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cellular assays, DMU2139 is dissolved in DMSO and applied to CYP1B1-expressing cancer cell lines (e.g., HEK293 cells transfected with CYP1B1). Cells are co-treated with cisplatin or other chemotherapeutic agents, and cell viability is assessed using MTT or similar assays to evaluate the compound's ability to reverse drug resistance.
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| Animal Protocol |
In vivo animal studies with DMU2139 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, including dosing regimens and pharmacokinetic sampling.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for DMU2139 are limited. As a small-molecule CYP1B1 inhibitor (molecular weight 289.33), the compound is expected to have reasonable oral bioavailability. The product should be stored in a dry, dark place.
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| Toxicity/Toxicokinetics |
Toxicology data for DMU2139 are not extensively reported. As a selective enzyme inhibitor, the compound is intended for research use only and should be handled with appropriate laboratory safety precautions. No clinical toxicity data are available.
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| References | |
| Additional Infomation |
DMU2139 (CAS#: 1821143-80-9) has the molecular formula C1₉H1₅NO2 and molecular weight 289.33. It is a potent and specific CYP1B1 inhibitor that shows high selectivity over other CYP isoforms. The compound is supplied as a research reagent and is not approved for human therapeutic use.
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| Molecular Formula |
C19H15NO2
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|---|---|
| Molecular Weight |
289.33
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| Exact Mass |
289.11
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| Elemental Analysis |
C, 78.87; H, 5.23; N, 4.84; O, 11.06
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| CAS # |
1821143-80-9
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| PubChem CID |
13615899
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
406
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3
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| InChi Key |
MPDPEUALCUWORP-RUDMXATFSA-N
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| InChi Code |
InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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| Chemical Name |
(E)-1-(6-methoxynaphthalen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one
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| Synonyms |
DMU2139 DMU-2139 DMU 2139
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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 : ~77.5 mg/mL (~267.86 mM)
Ethanol : ~5 mg/mL (~17.28 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.58 mg/mL (8.92 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 25.8 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: ≥ 2.58 mg/mL (8.92 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 25.8 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 | 3.4563 mL | 17.2813 mL | 34.5626 mL | |
| 5 mM | 0.6913 mL | 3.4563 mL | 6.9125 mL | |
| 10 mM | 0.3456 mL | 1.7281 mL | 3.4563 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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