![4-(Benzo[d]oxazol-2-yl)aniline](/upload/1124/V43319.png)
| Size | Price | Stock | Qty |
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| 5g |
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| Other Sizes |
| Targets |
4-(Benzo[d]oxazol-2-yl)aniline targets cancer cells, specifically mammary carcinoma cell lines. Its mechanism of action involves inhibiting the proliferation of these cancer cells. While the precise molecular target is not fully detailed in the available literature, its potent antitumor activity suggests it may interfere with key cellular pathways essential for cancer cell growth and survival. The compound is being investigated for its potential as an anticancer agent, and its activity against breast cancer cells makes it a promising candidate for further drug development.
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| ln Vitro |
4-(benzo[d]oxazol-2-yl)aniline (compound 5b) displays inhibitory effect against MCF-7 and MDA 468 breast cancer cell lines[1]. Its concentration ranges between 0-100 μM throughout 7 days and 10 days.
In vitro, 4-(Benzo[d]oxazol-2-yl)aniline has demonstrated potent inhibitory activity against mammary carcinoma cell lines. In a cell proliferation assay, the compound (referred to as compound 5b) was tested against MCF-7 and MDA 468 breast cancer cell lines at concentrations ranging from 0-100 µM. The incubation time was 7 days for MCF-7 cells and 10 days for MDA 468 cells. The compound exhibited inhibitory activity against MCF-7 cells with an IC50 >0.01-0.1 µM and against MDA 468 cells with an IC50 >0.1-1 µM. These results indicate that 4-(Benzo[d]oxazol-2-yl)aniline is a potent inhibitor of breast cancer cell proliferation in vitro. |
| ln Vivo |
Specific in vivo activity data for 4-(Benzo[d]oxazol-2-yl)aniline are not detailed in the available literature. As a research compound, its primary application is for in vitro studies to evaluate its antitumor properties. The compound's potent activity against breast cancer cell lines in vitro suggests it may have potential for in vivo efficacy, but further studies in animal models are required to confirm this. Its use in vivo would involve formulation in appropriate vehicles for administration, and its pharmacokinetic and pharmacodynamic properties would need to be characterized.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for 4-(Benzo[d]oxazol-2-yl)aniline are not specifically described in the available literature. The primary assay used to evaluate its activity is the cell proliferation assay, which measures its ability to inhibit the growth of cancer cells. In this assay, the compound is tested against cell lines such as MCF-7 and MDA 468. The compound is dissolved in an appropriate solvent (e.g., DMSO) and diluted in cell culture medium to the desired concentrations. The cells are then incubated with the compound for a specified period, and cell viability is measured to determine the half-maximal inhibitory concentration (IC50).
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| Cell Assay |
Cell proliferation assay [1]
Cell Types: MCF-7 and MDA 468 Tested Concentrations: 0-100 μM Incubation Duration: MCF-7 7 days, MDA 468 10 days Experimental Results: demonstrated inhibitory activity against MCF-7 (IC50>0.01- 0.1 μM) and MDA 468 (IC50>0.1-1 μM). In vitro cell-based assays for 4-(Benzo[d]oxazol-2-yl)aniline are performed using mammary carcinoma cell lines such as MCF-7 and MDA 468. Cells are seeded in multi-well plates and treated with varying concentrations of the compound (e.g., 0-100 µM). The cells are incubated for a specific duration, such as 7 days for MCF-7 cells or 10 days for MDA 468 cells. Following the incubation period, cell proliferation is assessed using a standard assay, such as the MTT assay, to determine the number of viable cells. The half-maximal inhibitory concentration (IC50) is calculated from the dose-response curve. The compound is typically dissolved in DMSO and diluted in cell culture medium for treatment. |
| Animal Protocol |
Specific in vivo animal experiment protocols for 4-(Benzo[d]oxazol-2-yl)aniline are not detailed in the available literature. For potential in vivo studies, the compound can be formulated for administration. A recommended formulation for similar compounds involves dissolving the compound in a mixture of solvents, such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline, to achieve a clear solution. The route of administration (e.g., oral, intraperitoneal, or intravenous) and dosing regimen would depend on the specific experimental design and tumor model being studied.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of 4-(Benzo[d]oxazol-2-yl)aniline have not been extensively characterized in the available literature. However, some physicochemical properties relevant to its PK can be inferred. The compound has a molecular weight of 210.23 g/mol and is soluble in DMSO. It has a calculated density of 1.31 g/cm3. For in vivo formulation, it can be prepared in a mixture of solvents such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. The compound is stable and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
Specific toxicological data for 4-(Benzo[d]oxazol-2-yl)aniline are not provided in the available sources. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent for in vitro and biochemical studies and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment. Its purity is typically ≥95% or higher, with some suppliers offering 99.78% purity.
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| References |
[1]. Shi DF, et al. Antitumor benzothiazoles. 3. Synthesis of 2-(4-aminophenyl)benzothiazoles and evaluation of their activities against breast cancer cell lines in vitro and in vivo. J Med Chem. 1996 Aug 16;39(17):3375-84.
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| Additional Infomation |
4-(Benzo[d]oxazol-2-yl)aniline is a potent antitumor agent that has demonstrated significant inhibitory activity against breast cancer cell lines, including MCF-7 and MDA 468. It is a benzoxazole derivative with the molecular formula C13H10N2O and a molecular weight of 210.23 g/mol. In cell proliferation assays, the compound (referred to as compound 5b) showed potent activity with IC50 values in the sub-micromolar range. The compound is used in cancer research to study cell proliferation and as a potential lead for developing new anticancer therapies. It is intended for research use only and is not for human consumption.
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| Molecular Formula |
C13H10N2O
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| Molecular Weight |
210.2313
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| Exact Mass |
210.079
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| CAS # |
20934-81-0
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| PubChem CID |
88733
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.257g/cm3
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| Boiling Point |
361.4ºC at 760mmHg
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| Flash Point |
172.4ºC
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| Vapour Pressure |
2.08E-05mmHg at 25°C
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| Index of Refraction |
1.682
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| LogP |
3.658
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
16
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| Complexity |
238
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| Defined Atom Stereocenter Count |
0
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| SMILES |
NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1
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| InChi Key |
XZYQBYQGHHGXBC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H10N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2
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| Chemical Name |
4-(1,3-benzoxazol-2-yl)aniline
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~475.67 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 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 (11.89 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7567 mL | 23.7835 mL | 47.5670 mL | |
| 5 mM | 0.9513 mL | 4.7567 mL | 9.5134 mL | |
| 10 mM | 0.4757 mL | 2.3783 mL | 4.7567 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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