| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| 500mg |
|
| Targets |
Pyclen targets the aggregation of amyloid-beta (Aβ1-40) peptides triggered by Cu²⁺ ions. It chelates metal ions, particularly copper (Cu²⁺), thereby preventing the metal-induced aggregation of Aβ peptides. It also inhibits cell death induced by oxidative stress. Its mechanism involves the chelation of metal ions that catalyze oxidative damage and protein aggregation.
|
|---|---|
| ln Vitro |
In vitro, pyclen inhibits Aβ1-40 aggregation induced by Cu²⁺ ions. It can both prevent and disrupt Cu²⁺-induced Aβ1-40 aggregation. It also inhibits cell death induced by oxidative stress. These activities are measured in cell-free and cell-based assays.
|
| ln Vivo |
Pyclen is not used for in vivo therapeutic applications. It is a research compound used to study metal-induced protein aggregation and oxidative stress. It is also used as a ligand for manganese (II) and other metal ions for liver-specific MRI.
|
| Enzyme Assay |
The in vitro activity of pyclen as a chelator can be assessed by measuring its ability to bind to Cu²⁺ ions using spectrophotometric or potentiometric methods. Its inhibition of Aβ1-40 aggregation is measured using Thioflavin T fluorescence or other aggregation assays.
|
| Cell Assay |
In vitro cellular assays for pyclen are performed on cells subjected to oxidative stress. Its ability to inhibit cell death is measured using MTT or LDH assays. Its effects on metal-induced protein aggregation can be studied in cell models of Alzheimer's disease.
|
| Animal Protocol |
Pyclen is not typically used in in vivo animal experiments as a standalone therapeutic compound. However, it may be used in research models to study the effects of metal chelation on protein aggregation and oxidative stress. Its use as an MRI contrast agent ligand would involve complexation with metal ions.
|
| ADME/Pharmacokinetics |
Pyclen has limited pharmacokinetic data available, as it is a research tool rather than a therapeutic agent. It is typically stored as a solid at room temperature. Its solubility in water and organic solvents is known.
|
| Toxicity/Toxicokinetics |
Pyclen is a chemical reagent and should be handled with standard laboratory precautions. It may be irritating to the skin, eyes, and respiratory tract. Its toxicity data are limited, but as with many chelating agents, it can bind to essential metal ions in the body.
|
| References | |
| Additional Infomation |
Pyclen is also known as 3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene. It is a macrocyclic ligand used in coordination chemistry and as a research tool for studying metal-induced protein aggregation. It is not an FDA-approved drug and is exclusively for research purposes.
|
| Molecular Formula |
C11H18N4
|
|---|---|
| Molecular Weight |
206.28742
|
| Exact Mass |
206.153
|
| CAS # |
78668-34-5
|
| PubChem CID |
586675
|
| Appearance |
Off-white to light yellow solid
|
| Density |
1g/cm3
|
| Boiling Point |
366.5ºC at 760 mmHg
|
| Flash Point |
175.4ºC
|
| Index of Refraction |
1.497
|
| LogP |
0.85
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
15
|
| Complexity |
158
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C12=NC(=CC=C1)CNCCNCCNC2
|
| InChi Key |
LNMUPMQUMCDOKO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2
|
| Chemical Name |
3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
|
| 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 |
| 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) |
DMSO: ~50 mg/mL (~242.4 mM; with ultrasonication and warming by heating to 60°C)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.12 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8475 mL | 24.2377 mL | 48.4754 mL | |
| 5 mM | 0.9695 mL | 4.8475 mL | 9.6951 mL | |
| 10 mM | 0.4848 mL | 2.4238 mL | 4.8475 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
