| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
The compound itself does not have a specific biological target. However, as a pyrimidine analogue, it is used as a scaffold for the development of various bioactive compounds that can target a range of enzymes and receptors, including kinases, nucleoside transporters, and other pyrimidine-binding proteins.
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| ln Vitro |
N-Benzyl-6-chloropyrimidin-4-amine is a synthetic intermediate and typically does not possess direct biological activity. Its value lies in its structural features, which allow for further chemical modification to generate compounds with potential activity as anticancer agents, kinase inhibitors, and other therapeutics.
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| ln Vivo |
No in vivo data is available for this intermediate, as it is not an active drug substance. Its utility is in organic synthesis, where it serves as a precursor for generating libraries of compounds that can be screened for biological activity in animal models of disease.
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| Enzyme Assay |
As a chemical intermediate, the compound is not subjected to biological enzyme or receptor binding assays. Quality control characterization involves HPLC to assess purity (≥98%), LC-MS to confirm molecular weight (219.67 g/mol), and NMR to verify structural identity. Assays are limited to chemical analysis.
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| Cell Assay |
Standard cell-based assays are not applicable to this synthetic intermediate. However, derivative compounds synthesized from this intermediate can be tested in cell viability assays using cancer cell lines. Cells are typically seeded in 96-well plates, treated with test compounds for 48-72 hours, and analyzed by MTT or CellTiter-Glo.
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| Animal Protocol |
Animal studies are not typically performed on this intermediate. However, for downstream compounds synthesized from this intermediate, standard xenograft models are used. Subcutaneous tumor models are established in immunocompromised mice, followed by compound administration and tumor growth monitoring.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for this intermediate, as it is a synthetic building block rather than a drug candidate. When used in medicinal chemistry, the pharmacokinetic properties of the final drug molecules derived from this intermediate would be evaluated separately.
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| Toxicity/Toxicokinetics |
No direct toxicity data is available for N-Benzyl-6-chloropyrimidin-4-amine. As a research chemical, it should be handled with appropriate personal protective equipment and in accordance with institutional safety guidelines. Standard safety data sheets should be consulted.
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| References |
[1]. TAKAHASHI S, et al. Cytokinin activity of pyrimidine derivatives. Chemical and Pharmaceutical Bulletin, 1978, 26(7): 2286-2287.
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| Additional Infomation |
N-Benzyl-6-chloropyrimidin-4-amine is a pyrimidine analogue and synthetic intermediate for research use only. Its mechanism of action, when incorporated into larger molecules, can vary depending on the final structure. It has not undergone clinical trials nor is it approved for therapeutic use. It is typically stored at -20degC and is stable for up to 3 years.
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| Molecular Formula |
C11H10CLN3
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|---|---|
| Molecular Weight |
219.67
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| Exact Mass |
219.056
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| CAS # |
61667-16-1
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| PubChem CID |
3771857
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| Appearance |
White to off-white solid powder
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| Density |
1.307 g/cm3
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| Boiling Point |
381ºC at 760 mmHg
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| Melting Point |
116-117℃
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| Flash Point |
184.2ºC
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| LogP |
2.815
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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 |
3
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| Heavy Atom Count |
15
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| Complexity |
183
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)CN=C2C=C(Cl)N=CN2
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| InChi Key |
XARFPUIPIOPYGA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H10ClN3/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,15)
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| Chemical Name |
N-benzyl-6-chloropyrimidin-4-amine
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 4.5523 mL | 22.7614 mL | 45.5228 mL | |
| 5 mM | 0.9105 mL | 4.5523 mL | 9.1046 mL | |
| 10 mM | 0.4552 mL | 2.2761 mL | 4.5523 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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