| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
|
||
| 50g |
|
||
| Other Sizes |
| Targets |
1,4,7-Trimethyl-1,4,7-triazonane does not have a defined biological drug target as it is primarily a chemical reagent and synthetic building block rather than a therapeutic agent. However, its metal complexes have been investigated for various biomedical applications. When chelated with transition metals such as copper, gallium, or gadolinium, Me3TACN derivatives can serve as imaging probes or therapeutic agents targeting specific biological processes. The compound's role in polymer chemistry involves interacting with various functional groups during cross-linking reactions, but these are chemical rather than biological interactions. The molecule itself is not designed to bind to specific proteins or enzymes in a therapeutic context.
|
|---|---|
| ln Vitro |
1,4,7-Trimethyl-1,4,7-triazonane is an organic substance or biomaterial that can be utilized as a biochemical reagent in life science research.
As a chemical reagent, 1,4,7-Trimethyl-1,4,7-triazonane is not typically evaluated for direct in vitro biological activity against specific molecular targets. Its biological relevance stems primarily from its use as a ligand for metal complexes that may exhibit pharmacological properties. The free base compound may show some cytotoxicity at high concentrations due to its basic nature and ability to interact with cellular components, but such effects are generally considered off-target and not the primary focus of research applications. The compound's activity is primarily chemical rather than biological in nature. |
| ln Vivo |
In vivo activity data for 1,4,7-Trimethyl-1,4,7-triazonane itself is not available in the published literature, as the compound is not intended for therapeutic use. Metal complexes containing Me3TACN ligands have been investigated in animal models for applications such as tumor imaging or radiotherapy, where the biological activity is attributed to the metal center rather than the ligand itself. The compound's role as a polymer precursor means it may be present in biomedical materials, but its in vivo behavior would depend on the specific formulation and application context.
|
| Enzyme Assay |
Cell-free biochemical assays involving 1,4,7-Trimethyl-1,4,7-triazonane typically focus on its metal-chelating properties rather than enzyme inhibition. A standard protocol for studying metal complex formation involves mixing the compound with metal salts (e.g., CuCl₂, GaCl₃) in aqueous or organic solution at controlled pH and temperature, followed by characterization using UV-Vis spectroscopy, mass spectrometry, or X-ray crystallography. For coordination chemistry studies, stability constants are determined by potentiometric titration. The compound's purity (typically ≥97%) is verified by HPLC or NMR spectroscopy before use in complexation studies.
|
| Cell Assay |
Cell-based assays for 1,4,7-Trimethyl-1,4,7-triazonane and its metal complexes typically evaluate cytotoxicity or cellular uptake. A standard protocol involves culturing cancer cell lines (e.g., HeLa, MCF-7) in 96-well plates, treating with varying concentrations of the compound or its metal complex for 24-72 hours, and assessing cell viability using MTT or resazurin reduction assays. For metal complexes intended as imaging probes, cellular uptake is measured by ICP-MS or fluorescence microscopy. The free ligand is often used as a control to distinguish metal-specific effects from ligand-associated toxicity.
|
| Animal Protocol |
In vivo studies involving Me3TACN are primarily conducted on its metal complexes rather than the free ligand. For radiopharmaceutical applications, a typical protocol involves intravenous injection of the radiolabeled metal complex (e.g., ⁶⁴Cu-Me3TACN conjugate) into tumor-bearing mice, followed by PET imaging at various time points post-injection. Biodistribution is determined by gamma counting of harvested organs. For therapeutic complexes, efficacy is assessed by monitoring tumor growth inhibition over 2-4 weeks. The free ligand may be evaluated for toxicity in preliminary dose-ranging studies to establish safe administration parameters.
|
| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for 1,4,7-Trimethyl-1,4,7-triazonane is not available. The compound's physicochemical properties include moderate hydrophilicity due to the three nitrogen atoms, with a calculated logP that suggests reasonable aqueous solubility. For metal complexes, pharmacokinetic parameters depend on the metal center and overall complex charge, size, and stability. Such complexes typically exhibit distribution volumes reflecting extracellular space, with clearance occurring via renal and hepatobiliary routes. The free ligand is expected to be metabolized by hepatic enzymes.
|
| Toxicity/Toxicokinetics |
Toxicological data specific to 1,4,7-Trimethyl-1,4,7-triazonane is limited in publicly available literature. As a tertiary amine, the compound may cause irritation upon skin or eye contact and should be handled with appropriate laboratory safety precautions. The compound is stabilized with NaHCO₃ in some commercial formulations. For metal complexes, toxicity is primarily associated with the metal component, and extensive toxicological evaluation is required for any potential therapeutic application. Standard safety data sheets recommend using personal protective equipment and working in a fume hood when handling this reagent.
|
| Additional Infomation |
1,4,7-Trimethyl-1,4,7-triazonane is a research chemical and synthetic reagent rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its applications as a chelating ligand for metal ions, as a cross-linking agent in polymer chemistry, and as a precursor for the synthesis of functional materials. Researchers utilize this versatile reagent in coordination chemistry, catalysis, materials science, and the development of metal-based diagnostic and therapeutic agents.
|
| Molecular Formula |
C9H21N3
|
|---|---|
| Molecular Weight |
171.28
|
| Exact Mass |
171.173
|
| CAS # |
96556-05-7
|
| PubChem CID |
546957
|
| Appearance |
Colorless to light yellow liquid（Density：0.884 g/cm3）
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
207.8±8.0 °C at 760 mmHg
|
| Flash Point |
68.3±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.457
|
| LogP |
-0.91
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
91.2
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1(CCN(C)CCN(C)CC1)C
|
| InChi Key |
WLDGDTPNAKWAIR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
|
| Chemical Name |
1,4,7-trimethyl-1,4,7-triazonane
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 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 | 5.8384 mL | 29.1920 mL | 58.3839 mL | |
| 5 mM | 1.1677 mL | 5.8384 mL | 11.6768 mL | |
| 10 mM | 0.5838 mL | 2.9192 mL | 5.8384 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
