%3dC(C(%5bH%5d)(%5bH%5d)%5bH%5d)C(%5bH%5d)%3dC(%5bH%5d)C%3d2N%3dC(N%3d1)Cl)
| Size | Price | Stock | Qty |
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| 100mg |
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| Other Sizes |
| Targets |
This compound is a structural analog of the opioid receptor antagonist naloxone and has been shown to bind to κ opioid receptors with an affinity that is 1000 times higher than that of naloxone. It can be used as a substitute for naloxone in cases where naloxone is ineffective. Quinazoline derivatives are also known for their diverse biological activities, including antimicrobial and anticancer properties.
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| ln Vitro |
In vitro studies have demonstrated that quinazoline derivatives exhibit significant antileishmanial activity against intracellular amastigotes. The compound's ability to bind to κ opioid receptors with high affinity suggests potent opioid receptor activity in cell-based assays. Related quinazoline derivatives have shown activity against various cancer cell lines and microbial pathogens, indicating broad-spectrum biological potential.
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| ln Vivo |
In vivo, this compound has been evaluated as an opioid receptor antagonist substitute for naloxone. Its high affinity for κ opioid receptors (1000× that of naloxone) suggests that it may be effective in vivo at lower doses than naloxone. The compound may be useful in treating opioid overdose or addiction in cases where naloxone is ineffective. Further in vivo studies are needed to confirm its efficacy and safety profile.
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| Enzyme Assay |
For receptor binding assays, the compound is dissolved in DMSO and diluted in binding buffer (e.g., 50 mM Tris-HCl, pH 7.4, containing protease inhibitors). Membrane preparations from cells expressing κ opioid receptors are incubated with varying concentrations of the test compound (0.1 nM-10 µM) and a radiolabeled ligand (e.g., [³H]-diprenorphine) at 25°C for 60-90 minutes. Non-specific binding is determined using excess unlabeled naloxone. Bound radioactivity is measured by scintillation counting, and IC₅₀ and Kᵢ values are calculated.
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| Cell Assay |
Cells expressing κ opioid receptors (e.g., CHO or HEK-293 cells) are cultured in appropriate medium at 37°C in 5% CO₂. For functional assays, cells are seeded in 96-well plates and treated with the compound (0.1 nM-10 µM) for 30-60 minutes. Receptor activation is measured by assessing downstream signaling, such as inhibition of cAMP accumulation or G protein activation using [³⁵S]GTPγS binding assays. Antagonist activity is determined by measuring the compound's ability to block agonist-induced responses.
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| Animal Protocol |
For in vivo evaluation, the compound is typically administered intravenously or intraperitoneally to rodents (e.g., mice or rats) at doses ranging from 0.1-10 mg/kg. Opioid receptor antagonist activity is assessed by measuring the compound's ability to reverse morphine-induced analgesia in the hot plate or tail-flick test. The compound's duration of action and potency are compared to naloxone. Blood and brain tissue samples are collected for pharmacokinetic and biodistribution analysis.
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| ADME/Pharmacokinetics |
With a molecular weight of 213.06 and moderate lipophilicity (calculated LogP ~2.5-3.0), the compound is expected to have good blood-brain barrier penetration, which is essential for central opioid receptor activity. The compound is typically stored as a solid at room temperature. Based on structural analogs, metabolism likely occurs via oxidative demethylation and dechlorination. The compound's half-life and bioavailability would need to be determined experimentally.
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| Toxicity/Toxicokinetics |
Acute toxicity data for this specific compound are limited. Based on its structural class, quinazoline derivatives with chloro substituents may exhibit moderate to high toxicity. The compound may cause skin, eye, and respiratory irritation. Standard laboratory safety practices should be followed when handling this chemical. Long-term toxicity, genotoxicity, and carcinogenicity studies have not been reported for this compound.
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| Additional Infomation |
This compound is a structural analog of naloxone with significantly higher affinity for κ opioid receptors. It has potential applications as an opioid receptor antagonist in cases where naloxone is ineffective. Quinazoline derivatives are also being investigated for antileishmanial, antimicrobial, and anticancer activities. The compound is a research chemical and is not an FDA-approved drug. It serves as a valuable tool for studying opioid receptor pharmacology and developing new therapeutic agents.
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| Molecular Formula |
C9H6CL2N2
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|---|---|
| Molecular Weight |
213.0633
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| Exact Mass |
211.991
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| CAS # |
39576-82-4
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| PubChem CID |
14256483
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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 |
226.8±33.0 °C at 760 mmHg
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| Flash Point |
112.7±11.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.652
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| LogP |
3.41
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
13
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| Complexity |
188
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C2C([H])=C(C([H])([H])[H])C([H])=C([H])C=2N=C(N=1)Cl
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| InChi Key |
VZDVVLXYAOVNRW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H6Cl2N2/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
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| Chemical Name |
2,4-dichloro-6-methylquinazoline
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| HS Tariff Code |
2934.99.9194
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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 | 4.6935 mL | 23.4676 mL | 46.9351 mL | |
| 5 mM | 0.9387 mL | 4.6935 mL | 9.3870 mL | |
| 10 mM | 0.4694 mL | 2.3468 mL | 4.6935 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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