| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
OXA-06 hydrochloride targets ROCK (Rho-associated protein kinase), a serine/threonine kinase that is a key downstream effector of the small GTPase Rho. ROCK plays critical roles in regulating the actin cytoskeleton, cell contraction, adhesion, migration, and invasion. It is involved in various cellular processes, including cell proliferation, apoptosis, and gene expression. OXA-06 hydrochloride is an ATP-competitive inhibitor, meaning it binds to the ATP-binding pocket of ROCK and prevents its kinase activity. By inhibiting ROCK, the compound blocks anchorage-dependent growth and invasion of NSCLC cells and inhibits cofilin phosphorylation. Cofilin is a downstream substrate of ROCK that regulates actin dynamics, and its phosphorylation is a marker of ROCK activity.
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| ln Vitro |
In vitro, OXA-06 hydrochloride blocks anchorage-dependent growth and invasion of non-small cell lung cancer cell lines. The compound inhibits cofilin phosphorylation but does not stimulate apoptosis. These activities demonstrate the compound's ability to modulate ROCK signaling and its effects on cancer cell behavior. The compound's ATP-competitive mechanism of action suggests that it binds to the ATP-binding pocket of ROCK. OXA-06 hydrochloride is a selective ROCK inhibitor. However, specific quantitative data such as IC50 values for ROCK inhibition have not been extensively reported in the available literature. The compound is used in cancer research to study the role of ROCK signaling in tumor growth and metastasis.
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| ln Vivo |
In vivo activity data for OXA-06 hydrochloride are not available in the current scientific literature. As an ATP-competitive ROCK inhibitor with demonstrated effects on cancer cell growth and invasion in vitro, the compound would be expected to have antitumor activity in vivo. However, specific animal model studies, dosing regimens, and quantitative outcomes have not been reported. The compound's selectivity for ROCK and its ability to inhibit cofilin phosphorylation suggest that it may have potential for in vivo applications in cancer research. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties in animal models of cancer.
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| Enzyme Assay |
In vitro enzyme assay protocols for OXA-06 hydrochloride would typically involve measuring its inhibition of ROCK kinase activity. A standard protocol would involve incubating recombinant ROCK with varying concentrations of OXA-06 hydrochloride (typically 0.1 nM to 10 μM), ATP, and a peptide substrate (e.g., a ROCK-specific substrate such as a peptide derived from myosin phosphatase target subunit) in kinase assay buffer at 30°C for a defined period. The extent of substrate phosphorylation is measured using methods such as 33P-ATP incorporation, TR-FRET, or luminescent kinase assays (e.g., ADP-Glo). IC50 values are determined from concentration-response curves. The compound's ATP-competitive mechanism can be confirmed by performing kinase assays at varying ATP concentrations.
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| Cell Assay |
In vitro cell-based assay protocols for OXA-06 hydrochloride typically involve assessing its effects on cancer cell growth, invasion, and ROCK signaling. A standard protocol would involve seeding non-small cell lung cancer cell lines in multi-well plates and treating them with varying concentrations of OXA-06 hydrochloride (typically 0.1 nM to 10 μM) for 24-72 hours. Anchorage-dependent growth is assessed using standard proliferation assays such as MTT or CellTiter-Glo. Invasion is assessed using Transwell invasion assays with Matrigel-coated membranes. ROCK signaling is assessed by measuring cofilin phosphorylation by Western blot. Apoptosis is assessed by Annexin V staining or caspase activity assays. Appropriate controls include vehicle-treated cells and cells treated with a known ROCK inhibitor.
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| Animal Protocol |
In vivo animal experimental protocols for OXA-06 hydrochloride have not been reported in the available literature. Based on its in vitro activity against NSCLC cell lines, potential studies might involve using mouse xenograft models of non-small cell lung cancer. A hypothetical protocol would involve implanting NSCLC cells subcutaneously in immunodeficient mice, allowing tumors to reach a certain size, and then administering OXA-06 hydrochloride via oral gavage or intraperitoneal injection at doses determined from preliminary pharmacokinetic and tolerability studies. Treatment would typically be administered daily for 2-4 weeks. Endpoints would include tumor volume measurement, tumor weight at necropsy, assessment of ROCK signaling (cofilin phosphorylation) in tumor tissues, assessment of apoptosis, and evaluation of tumor invasion and metastasis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of OXA-06 hydrochloride have not been characterized in published studies. The compound has a molecular weight of 404.31 and a molecular formula of C21H20Cl2FN3. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's metabolism, protein binding, and routes of elimination remain to be characterized. Further pharmacokinetic studies would be required to understand its absorption, distribution, metabolism, and excretion profile. The compound is intended for research use only and is not intended for human use.
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| References | |
| Additional Infomation |
OXA-06 hydrochloride is a research-grade compound that functions as an ATP-competitive ROCK inhibitor. It blocks anchorage-dependent growth and invasion of non-small cell lung cancer cell lines and inhibits cofilin phosphorylation without stimulating apoptosis. The compound is used in cancer research to study the role of ROCK signaling in tumor growth and invasion. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves ATP-competitive inhibition of ROCK, leading to disruption of actin cytoskeleton regulation and cancer cell invasion. The compound is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
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| Molecular Formula |
C21H20CL2FN3
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|---|---|
| Molecular Weight |
404.31
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| Exact Mass |
403.101
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| CAS # |
1825455-91-1
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| PubChem CID |
91691120
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
410
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.Cl.FC1C=CC=CC=1CNCC1C=CC(=CC=1)C1C=CN=C2C=1C=CN2
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| InChi Key |
ZRBCUSMZOWMVJS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H18FN3.2ClH/c22-20-4-2-1-3-17(20)14-23-13-15-5-7-16(8-6-15)18-9-11-24-21-19(18)10-12-25-21;;/h1-12,23H,13-14H2,(H,24,25);2*1H
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| Chemical Name |
N-[(2-fluorophenyl)methyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine;dihydrochloride
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 :~25 mg/mL (~61.83 mM; with sonication (<60°C))
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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 | 2.4733 mL | 12.3667 mL | 24.7335 mL | |
| 5 mM | 0.4947 mL | 2.4733 mL | 4.9467 mL | |
| 10 mM | 0.2473 mL | 1.2367 mL | 2.4733 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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