%3dC(%5bH%5d)C(%3dC(%5bH%5d)C%3d2N%3dC(%5bH%5d)N%3d1)F)
| Size | Price | Stock | Qty |
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| 10g |
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| Other Sizes |
| Targets |
Quinazoline derivatives with halogen substituents are known to interact with various biological targets including kinases, EGFR, and other enzymes involved in cancer and inflammatory pathways. The 7-fluoro substituent enhances binding affinity through halogen bonding and improves metabolic stability. The 4-chloro position provides a site for nucleophilic substitution, enabling diverse analog synthesis.
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| ln Vitro |
In vitro studies have demonstrated that fluorinated quinazoline derivatives exhibit significant biological activities including anticancer, antimicrobial, and anti-inflammatory properties. The 7-fluoro substituent provides unique target selectivity. Derivatives of this compound have been evaluated for antiproliferative activity against various cancer cell lines with promising results.
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| ln Vivo |
In vivo activity data are limited as this compound is primarily a synthetic intermediate. However, fluorinated quinazoline-based drugs have been successfully developed for cancer therapy. The fluoro substituent improves oral bioavailability and metabolic stability in vivo. The compound is referenced in patent applications for heterocyclic compounds as kinase inhibitors.
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| Enzyme Assay |
For enzyme inhibition assays, the compound is dissolved in DMSO and diluted in assay buffer. The target kinase is incubated with varying concentrations (0.1 nM-10 µM) in assay buffer (e.g., 50 mM HEPES, pH 7.5, with MgCl₂ and ATP) at 30°C for 30-60 minutes. Kinase activity is measured using appropriate detection methods. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cells (e.g., cancer cell lines) are cultured in DMEM or RPMI-1640 with 10% FBS at 37°C in 5% CO₂. Cells are seeded in 96-well plates (5,000-10,000 cells/well) and treated with synthesized derivatives at 0.1-100 µM for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Phosphorylation of target proteins is measured by Western blotting or ELISA.
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| Animal Protocol |
For in vivo studies, derivatives are formulated in suitable vehicles and administered orally or intraperitoneally to tumor-bearing mice at 10-100 mg/kg. Tumor volume is measured every 2-3 days. Body weight and clinical signs are monitored. Pharmacokinetic studies determine oral bioavailability and half-life. Tumor tissues are analyzed for target modulation.
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| ADME/Pharmacokinetics |
The compound has a molecular weight of 182.58 g/mol, boiling point of 284.9°C, density of 1.447 g/cm³, LogP of 2.6, and tPSA of 25.8 Ų. It has no hydrogen bond donors and 3 acceptors. Soluble in organic solvents. GHS hazard statement H315 (causes skin irritation). Storage: long-term in a cool, dry place.
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| Toxicity/Toxicokinetics |
Acute toxicity: causes skin irritation (H315). Precautionary statements include P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501. Signal word: Warning. Standard laboratory safety practices should be followed.
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| Additional Infomation |
This compound is a key intermediate for synthesizing kinase inhibitors and other biologically active molecules. It is referenced in patent applications for heterocyclic compounds as kinase inhibitors and in the synthesis of quinazoline-containing myricetin derivatives. The 4-[(7-fluoro-quinazolin-4-yl)-oxy]aniline derivative has been structurally characterized. It is a research chemical, not an FDA-approved drug.
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| Molecular Formula |
C8H4CLFN2
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|---|---|
| Molecular Weight |
182.5822
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| Exact Mass |
182.005
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| CAS # |
16499-62-0
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| PubChem CID |
16227013
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
284.9±20.0 °C at 760 mmHg
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| Flash Point |
126.1±21.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.635
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| LogP |
1.73
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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 |
0
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| Heavy Atom Count |
12
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| Complexity |
167
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C2C([H])=C([H])C(=C([H])C=2N=C([H])N=1)F
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| InChi Key |
JHBYQJRHJVEKPK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H4ClFN2/c9-8-6-2-1-5(10)3-7(6)11-4-12-8/h1-4H
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| Chemical Name |
4-chloro-7-fluoroquinazoline
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| HS Tariff Code |
2934.99.9167
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 5.4771 mL | 27.3853 mL | 54.7705 mL | |
| 5 mM | 1.0954 mL | 5.4771 mL | 10.9541 mL | |
| 10 mM | 0.5477 mL | 2.7385 mL | 5.4771 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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