C(%3dC(C(%5bH%5d)%3dC2N%3dC(C(%5bH%5d)(%5bH%5d)%5bH%5d)N%3d1)OC(%5bH%5d)(%5bH%5d)%5bH%5d)OC(%5bH%5d)(%5bH%5d)%5bH%5d)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
||
| Other Sizes |
| Targets |
Quinazoline derivatives with methoxy substituents are known to interact with various biological targets including kinases, EGFR, and other enzymes. The 6,7-dimethoxy pattern is a common feature in many bioactive quinazolines, including clinically used drugs. The methoxy groups can participate in hydrogen bonding and hydrophobic interactions with target proteins. The 4-chloro position provides a site for nucleophilic substitution.
|
|---|---|
| ln Vitro |
In vitro studies have demonstrated that 6,7-dimethoxyquinazoline derivatives exhibit significant biological activities including anticancer, antimicrobial, and anti-inflammatory properties. The dimethoxy substitution pattern is associated with enhanced binding affinity to certain kinases. Derivatives of this compound have been evaluated for antiproliferative activity against various cancer cell lines.
|
| ln Vivo |
In vivo activity data for this specific compound are limited, as it is primarily used as a synthetic intermediate. However, quinazoline-based drugs with dimethoxy substituents have been developed for cancer therapy. The compound's role is to enable the synthesis of diverse quinazoline derivatives for biological evaluation and optimization in drug discovery programs.
|
| Enzyme Assay |
For enzyme inhibition studies, the compound is used as a starting material for synthesizing test compounds through nucleophilic substitution at the 4-chloro position. The synthesized derivatives are evaluated by incubating the target kinase with varying concentrations of the test compound (0.1 nM-10 µM) in assay buffer (e.g., 50 mM HEPES, pH 7.5, containing 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.
|
| Cell Assay |
Cells (e.g., cancer cell lines) are cultured in DMEM or RPMI-1640 supplemented with 10% FBS at 37°C in a 5% CO₂ incubator. Cells are seeded in 96-well plates (5,000-10,000 cells/well) and treated with synthesized quinazoline derivatives at concentrations ranging from 0.1-100 µM for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis and cell cycle effects are analyzed by flow cytometry.
|
| Animal Protocol |
For in vivo efficacy studies, quinazoline derivatives synthesized from this compound are administered orally or intraperitoneally to tumor-bearing mice at doses of 10-100 mg/kg. Tumor volume is measured every 2-3 days. Body weight and clinical signs are monitored. At study termination, tumors are collected for histopathological and biomarker analysis. Pharmacokinetic studies determine oral bioavailability and half-life.
|
| ADME/Pharmacokinetics |
The compound has a molecular weight of approximately 238.67 and is typically stored as a solid at room temperature. The dimethoxy groups provide moderate lipophilicity (calculated LogP ~2.0-2.5) and electron-donating properties. The compound is soluble in organic solvents such as DMSO and dichloromethane. The 4-chloro group is reactive toward nucleophilic substitution. Metabolism may occur via O-demethylation of the methoxy groups.
|
| Toxicity/Toxicokinetics |
Acute toxicity data for this specific compound are limited. Based on its structural class, quinazoline derivatives may cause skin, eye, and respiratory irritation. Standard laboratory safety practices should be followed when handling this chemical. The compound should be stored in a cool, dry place away from light and moisture. Long-term toxicity and carcinogenicity studies have not been reported for this compound.
|
| Additional Infomation |
This compound is a valuable intermediate for synthesizing quinazoline-based pharmaceuticals. The 6,7-dimethoxy pattern is a common feature in many bioactive quinazolines, including clinically used kinase inhibitors. The compound serves as a building block for developing new therapeutics targeting cancer and other diseases. It is a research chemical and is not an FDA-approved drug.
|
| Molecular Formula |
C11H11CLN2O2
|
|---|---|
| Molecular Weight |
238.6702
|
| Exact Mass |
238.051
|
| CAS # |
50377-49-6
|
| PubChem CID |
10490150
|
| Appearance |
Typically exists as solids at room temperature
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
286.8±40.0 °C at 760 mmHg
|
| Flash Point |
127.3±27.3 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.596
|
| LogP |
1.58
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
16
|
| Complexity |
242
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1C2=C([H])C(=C(C([H])=C2N=C(C([H])([H])[H])N=1)OC([H])([H])[H])OC([H])([H])[H]
|
| InChi Key |
VHTOWTBCVHATEY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H11ClN2O2/c1-6-13-8-5-10(16-3)9(15-2)4-7(8)11(12)14-6/h4-5H,1-3H3
|
| Chemical Name |
4-chloro-6,7-dimethoxy-2-methylquinazoline
|
| HS Tariff Code |
2934.99.9208
|
| 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)
|
| 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
|
|---|---|
| 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 | 4.1899 mL | 20.9494 mL | 41.8989 mL | |
| 5 mM | 0.8380 mL | 4.1899 mL | 8.3798 mL | |
| 10 mM | 0.4190 mL | 2.0949 mL | 4.1899 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
