C2C%3dCC%3dCC%3d2)%3dNC(C2C%3dCC%3dCC%3d2)%3dN1)
| Size | Price | Stock | Qty |
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| 5g |
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| Other Sizes |
| Targets |
As a synthetic building block, this compound does not have a defined biological target. The mechanism of action involves its interaction with specific molecular targets. The biphenyl and phenyl substituents provide opportunities for π-π stacking and hydrophobic interactions in drug-target binding, while the chlorine atom enables further functionalization through cross-coupling or nucleophilic substitution reactions.
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| ln Vitro |
No direct in vitro biological activity data have been reported for this compound as it is primarily used as a research chemical. Pyrimidine derivatives as a class exhibit diverse pharmacological activities including anticancer, anti-inflammatory, and antimicrobial effects. The compound itself is evaluated primarily for chemical purity and its optical/electronic properties.
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| ln Vivo |
No in vivo pharmacological activity data have been reported for this compound. As a research chemical, it is not intended for direct administration in animal models. Its biological relevance would only emerge after conversion to drug-like molecules through substitution at the chlorine position or other derivatization reactions.
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| Enzyme Assay |
Not applicable as this compound is primarily a research chemical. For related pyrimidine derivatives, enzyme inhibition assays involve incubating test compounds with purified target kinases or other enzymes in kinase assay buffer (e.g., 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT) with ATP and peptide substrates, measuring phosphorylation via radiometric or fluorescence-based detection to determine IC50 values from dose-response curves.
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| Cell Assay |
Not applicable as this compound is primarily a research chemical. Standard cell-based assays for pyrimidine derivatives involve culturing cancer cell lines in RPMI-1640 or DMEM with 10% FBS, treating with serial dilutions of test compounds for 48-72 hours, and assessing cell viability using MTT or CCK-8 assays to determine GI50 values, with appropriate positive controls such as known kinase inhibitors.
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| Animal Protocol |
Not applicable as this compound has no reported in vivo studies. For related pyrimidine-based drug candidates, standard protocols involve oral or intravenous administration to mouse xenograft models at doses determined from PK studies, with tumor volume measured twice weekly, and terminal blood and tissue collection for PK and PD analysis.
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| ADME/Pharmacokinetics |
No pharmacokinetic data have been reported for this compound. Based on its molecular properties (MW 342.83, C22H15ClN2), it would be expected to have high lipophilicity. The compound is typically stored at room temperature in a cool, dark place (<15°C). The chlorinated pyrimidine ring is metabolically stable with potential for CYP450-mediated oxidation.
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| Toxicity/Toxicokinetics |
No toxicological data have been reported for this compound. As a chlorinated heterocycle, it should be handled with appropriate safety precautions. Chlorinated compounds may exhibit irritant properties. Standard safety practices include using fume hoods, gloves, and protective eyewear. Comprehensive toxicology studies would be required if this compound were used in pharmaceutical applications.
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| Additional Infomation |
This compound is a research chemical supplied for synthetic purposes and is not an approved drug. It has no clinical trial history or regulatory approval status. Its primary value is as a building block for synthesizing pyrimidine-containing compounds with potential pharmaceutical applications. Typical purity is ≥98.0% by GC. Storage at room temperature in a cool, dark place is recommended.
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| Molecular Formula |
C22H15CLN2
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|---|---|
| Molecular Weight |
342.820904016495
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| Exact Mass |
342.092
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| CAS # |
1689538-58-6
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| PubChem CID |
118640865
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
460.7±43.0 °C at 760 mmHg
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| Melting Point |
146 °C
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| Flash Point |
264.8±13.8 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.631
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| LogP |
6.55
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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 |
3
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| Heavy Atom Count |
25
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| Complexity |
395
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC(C2C=CC(=CC=2)C2C=CC=CC=2)=NC(C2C=CC=CC=2)=N1
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| InChi Key |
JWWMUTCXVNBWGP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H
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| Chemical Name |
4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine
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| HS Tariff Code |
2934.99.9301
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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 | 2.9170 mL | 14.5849 mL | 29.1698 mL | |
| 5 mM | 0.5834 mL | 2.9170 mL | 5.8340 mL | |
| 10 mM | 0.2917 mL | 1.4585 mL | 2.9170 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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