Physicochemical Properties
Molecular Formula | C15H9FN4 |
Molecular Weight | 264.2572 |
Exact Mass | 264.081 |
CAS # | 2173361-80-1 |
Related CAS # | 2173361-80-1 (F19);2173353-61-0 (F18); |
PubChem CID | 134202705 |
Appearance | Off-white to light yellow solid powder |
LogP | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Heavy Atom Count | 20 |
Complexity | 353 |
Defined Atom Stereocenter Count | 0 |
SMILES | FC1C([H])=C(C([H])=C([H])N=1)C1C([H])=C([H])C2=C(N=1)N([H])C1C([H])=C([H])N=C([H])C2=1 |
InChi Key | JUPWIBZGGFVBCU-UHFFFAOYSA-N |
InChi Code | InChI=1S/C15H9FN4/c16-14-7-9(3-6-18-14)12-2-1-10-11-8-17-5-4-13(11)20-15(10)19-12/h1-8H,(H,19,20) |
Chemical Name | 11-(2-fluoropyridin-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene |
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) |
Biological Activity
ln Vitro | Using Positron Emission Tomography (PET) imaging, Tau tracer 2 (compound F-3a) can be used to selectively detect Tau aggregate-associated illnesses and abnormalities, such as Alzheimer's disease and other tauopathies[1]. |
References |
[1]. Compounds for imaging tau protein aggregates. WO2018015549A1. |
Solubility Data
Solubility (In Vitro) | DMSO : 16.67 mg/mL (63.08 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (6.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 16.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 1.67 mg/mL (6.32 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 16.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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: ≥ 1.67 mg/mL (6.32 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 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 3.7842 mL | 18.9208 mL | 37.8415 mL | |
5 mM | 0.7568 mL | 3.7842 mL | 7.5683 mL | |
10 mM | 0.3784 mL | 1.8921 mL | 3.7842 mL |