Physicochemical Properties
| CAS # | 2978521-26-3 |
| PubChem CID | 169171740 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 32 |
| Complexity | 797 |
| Defined Atom Stereocenter Count | 3 |
| 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 Vivo | The bioavailability of AEP-IN-3 (compound 18) is 83% with a T1/2[1]. AEP-IN-3 (20 mg/kg, oral, BID, for 5 days) showed significant inhibition of AEP activity in the brain of TauP301L transgenic mice[1]. |
| Animal Protocol |
Animal/Disease Models: Mice producing the 2N4R isoform of human Tau containing the P301L mutation in a FVB/N genetic background (3.8 months old)[1] Doses: 20 mg/kg Route of Administration: Orally, BID with an interval of 7-8 h between doses for 5 days Experimental Results: Showed significantly inhibited activity of AEP in brain, reduced formation of the Tau N368 fragment. The effect on total Tau is not significant. |
| References |
[1].Discovery of Orally Available and Brain Penetrant AEP Inhibitors. J Med Chem. 2023 Dec 28;66(24):17026-17043. |
Solubility Data
| Solubility (In Vitro) | DMSO :~100 mg/mL (~219.59 mM; with sonication) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.49 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 25.0 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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 (5.49 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 25.0 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution 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 (5.49 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 25.0 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |