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| Targets |
WZ4141R is primarily described as a chemical intermediate in compound synthesis and does not have an intrinsic biological mechanism of action. However, some sources suggest it may act as a selective inhibitor of specific receptor tyrosine kinases, which play crucial roles in cell signaling pathways that regulate cell proliferation, survival, and differentiation. It may also be a potential inhibitor of tubulin polymerization based on structural analogies.
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| ln Vitro |
In vitro, WZ4141R is designed for high-precision biochemical and cell-based studies as a reference compound. It can be applied in cancer, inflammation, and metabolic disease models to explore mechanism of action, pathway selectivity, and combination strategies. Its well-defined structure and consistent activity make it suitable for probing signaling pathways and building structure-activity relationship (SAR) around related chemotypes.
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| ln Vivo |
In vivo, WZ4141R can be used in animal models of cancer, inflammation, and metabolic disease to study its potential therapeutic effects as a reference compound. However, it is primarily considered a chemical intermediate, and its in vivo activity as a standalone inhibitor is not extensively documented. It is compatible with common assay formats and supports reproducible data generation from early discovery through advanced validation in translational research programs.
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| Enzyme Assay |
There is no standard cell-free biochemical assay for WZ4141R as its primary mechanism of action is not fully defined. A generic kinase inhibition assay could be performed using a panel of recombinant receptor tyrosine kinases (e.g., EGFR, VEGFR, PDGFR) and a fluorescence polarization (FP) or time-resolved fluorescence (TR-FRET) assay kit. The compound would be tested at varying concentrations (e.g., 0.01-100 microM) against each kinase, and the percentage inhibition or IC50 values would be calculated to determine its selectivity profile.
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| Cell Assay |
An in vitro cell-based assay for WZ4141R would involve treating cancer cell lines (e.g., HCT-116, MCF-7, A549) with varying concentrations of the compound for 48-72 hours. Cell viability is measured using an MTT or CellTiter-Glo assay to determine the half-maximal inhibitory concentration (IC50) for cell growth. Additionally, the effect on cell cycle progression can be assessed by propidium iodide staining and flow cytometry, and apoptosis can be measured by Annexin V/PI staining and Western blot for PARP cleavage and caspase-3 activation.
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| Animal Protocol |
To assess the in vivo efficacy of WZ4141R, a mouse xenograft model of a sensitive cancer cell line (e.g., colon or breast cancer) can be used. Immunodeficient mice are injected subcutaneously with 1-5 × 10⁶ cancer cells. When tumors reach approximately 100-200 mm3, mice are randomized into vehicle control and treatment groups. WZ4141R is administered at doses of 10-50 mg/kg (intraperitoneal or oral gavage) daily or every other day for 2-4 weeks. Tumor volume (length×width2/2) and body weight are measured every 3-4 days. Endpoints include tumor growth inhibition (TGI), terminal tumor weight, and histopathology (H&E, Ki-67 staining).
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| ADME/Pharmacokinetics |
WZ4141R has a molecular weight of 281.31 and a molecular formula of C16H15N3O2. It is soluble in DMSO, and for in vivo use it can be formulated in vehicles such as 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline or 10% DMSO + 90% corn oil to achieve a clear solution at 2-5 mg/mL. As an intermediate, its pharmacokinetic properties are not extensively studied. Based on its molecular weight and lipophilicity (calculated LogP ~2-3), it may have moderate bioavailability and a short to medium half-life.
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| Toxicity/Toxicokinetics |
Specific toxicological data for WZ4141R is not available. As a research compound, it is recommended to handle with standard laboratory safety precautions, including wearing personal protective equipment and avoiding inhalation, ingestion, or skin contact. If it does possess kinase inhibitory activity, potential on-target toxicity could include effects on normal cell proliferation, metabolism, or cardiovascular function. Comprehensive toxicology studies would be required for any potential therapeutic development.
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| Additional Infomation |
WZ4141R is a research compound that can be used as a reference standard in drug discovery. It is classified as an API intermediate, and it is compatible with common assay formats across translational research programs. The product is recommended for inclusion in screening libraries and mechanistic toolboxes for its ability to probe signaling pathways. It is not approved for any clinical use and is strictly intended for research purposes only. The CAS number is 2319589-98-3, and the IUPAC name is N-(3-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)propanamide.
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| Molecular Formula |
C16H15N3O2
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|---|---|
| Molecular Weight |
281.31
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| Exact Mass |
281.116
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| CAS # |
2319589-98-3
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| PubChem CID |
129626445
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| Appearance |
White to off-white solid powder
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| Density |
1.306±0.06 g/cm3(Predicted)
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| LogP |
2.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
363
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1=CC=CC(=C1)NC(CC)=O)C1C=CN=C2C=1C=CN2
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| InChi Key |
MWRPLDOUQAMQEC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H15N3O2/c1-2-15(20)19-11-4-3-5-12(10-11)21-14-7-9-18-16-13(14)6-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
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| Chemical Name |
N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
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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: ≥ 50 mg/mL (177.74 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.44 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 12.5 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: ≥ 1.25 mg/mL (4.44 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), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: ≥ 1.25 mg/mL (4.44 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 | 3.5548 mL | 17.7740 mL | 35.5480 mL | |
| 5 mM | 0.7110 mL | 3.5548 mL | 7.1096 mL | |
| 10 mM | 0.3555 mL | 1.7774 mL | 3.5548 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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