| 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 |
Osteopontin (OPN), a secreted phosphoprotein that is overexpressed in various cancers and promotes tumor progression, metastasis, and inflammation. OPN expression inhibitor 1 targets the process of OPN expression itself rather than directly binding to the OPN protein. The precise molecular target that it binds to has not been fully elucidated, but the compound's activity is defined by its ability to reduce OPN mRNA and protein levels.
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| ln Vitro |
In vitro, OPN expression inhibitor 1 effectively reduces osteopontin (OPN) expression in cancer cell lines. It acts as an anti-metastatic agent in the control of MDA-MB-435 breast cancer cell metastasis. The compound contains a 1,2,3-triazole ring, which is often used to improve bioactivity. The specific quantitative potency (e.g., IC50 values for OPN reduction) is not detailed in standard literature, but it is described as a potent inhibitor for breast cancer research.
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| ln Vivo |
In vivo, OPN expression inhibitor 1 has demonstrated anti-breast cancer cell metastasis activity in animal models, which is its primary area of research. It was developed from a DHA scaffold, which may contribute to its bioavailability. By suppressing OPN expression, it has the potential to block cancer cell migration, invasion, and the formation of distant metastases. It is specifically noted for its use in breast cancer research.
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| Enzyme Assay |
There is no standard cell-free biochemical assay for this compound, as it targets the expression of OPN rather than a specific enzyme's catalytic activity. To confirm a direct effect, researchers would perform a binding assay (e.g., Surface Plasmon Resonance or a pull-down assay) with a tagged version of the compound to identify its molecular target. However, this is not a standard protocol. The primary activity is confirmed in cell-based or animal models.
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| Cell Assay |
The standard assay for OPN expression inhibitor 1 is a quantitative PCR (qPCR) and Western blot analysis of cancer cells. MDA-MB-435 or other breast cancer cells are seeded in culture plates and treated with varying concentrations of the compound. After 24-72 hours of treatment, total RNA is extracted for qPCR to measure OPN mRNA levels, and protein lysates are prepared for Western blotting with an anti-OPN antibody to measure OPN protein levels. A dose-dependent decrease in OPN expression confirms the on-target activity. Cell migration and invasion can be measured using transwell assays.
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| Animal Protocol |
In vivo efficacy of OPN expression inhibitor 1 is assessed in a mouse model of breast cancer metastasis. Immunodeficient mice (e.g., BALB/c nude mice) are injected with MDA-MB-435 breast cancer cells via the tail vein (experimental metastasis model) or orthotopically (in the mammary fat pad). The mice are then treated with the test compound or vehicle control, typically by oral gavage or intraperitoneal (IP) injection. Endpoints include the number of lung or brain metastatic nodules, primary tumor volume (if orthotopic), and survival. OPN expression levels in tumors are confirmed by IHC.
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| ADME/Pharmacokinetics |
OPN expression inhibitor 1 is a small molecule derived from DHA (MW 455.55). It is lipophilic, and its formulation is expected to be similar to other DHA derivatives. It is designed for oral administration, with studies reporting it as an orally active compound. Specific ADME (absorption, distribution, metabolism, excretion) parameters are not detailed in standard literature, but it has favorable characteristics as it was developed from a DHA scaffold intended to improve bioavailability and targeting.
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| Toxicity/Toxicokinetics |
Specific toxicity data for OPN expression inhibitor 1 is not available. As a compound that targets OPN expression, on-target toxicity would relate to the physiological functions of osteopontin, which is involved in wound healing, bone remodeling, and immune regulation. It has been described as exhibiting "significant" activity in animal models, but detailed safety and tolerability data have not been published in the research product literature, indicating it is a tool compound not yet at a clinical stage.
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| References | |
| Additional Infomation |
OPN expression inhibitor 1 (Compound 11) is a chemical probe for studying the role of osteopontin (OPN) in cancer metastasis. OPN is a multifunctional protein that is upregulated in several cancers and promotes tumor cell migration, invasion, and metastasis. This DHA-derivative is one of the few small molecule inhibitors of OPN expression, as most OPN-targeting therapies are antibodies or antisense oligonucleotides. It is not an approved drug and is strictly for preclinical research use. Additional information about this compound may be available in the patent WO2013106538A1 or related scientific publications.
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| Molecular Formula |
C25H33N3O5
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|---|---|
| Molecular Weight |
455.546626806259
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| Exact Mass |
455.242
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| CAS # |
2257492-95-6
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| PubChem CID |
171042953
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| Appearance |
White 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 |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
708
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| Defined Atom Stereocenter Count |
7
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| SMILES |
C[C@H]1[C@@H](O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@]1([H])[C@@]24OO3)OCC1N=NN(CC2C=CC=CC=2)C=1
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| InChi Key |
QRKZWJMHZFFVGH-UOXUIGFWSA-N
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| InChi Code |
InChI=1S/C25H33N3O5/c1-16-9-10-21-17(2)22(30-23-25(21)20(16)11-12-24(3,31-23)32-33-25)29-15-19-14-28(27-26-19)13-18-7-5-4-6-8-18/h4-8,14,16-17,20-23H,9-13,15H2,1-3H3/t16-,17-,20+,21+,22?,23-,24-,25-/m1/s1
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| Chemical Name |
1-benzyl-4-[[(1R,4S,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxymethyl]triazole
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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 (219.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.49 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 25.0 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: ≥ 2.5 mg/mL (5.49 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), suspension solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (5.49 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 | 2.1951 mL | 10.9757 mL | 21.9515 mL | |
| 5 mM | 0.4390 mL | 2.1951 mL | 4.3903 mL | |
| 10 mM | 0.2195 mL | 1.0976 mL | 2.1951 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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