Physicochemical Properties
| Molecular Formula | C22H17F3N4O |
| Molecular Weight | 410.391794919968 |
| Exact Mass | 410.135 |
| CAS # | 2022949-46-6 |
| PubChem CID | 122604490 |
| Appearance | White to off-white solid powder |
| LogP | 4.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 30 |
| Complexity | 555 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | N1C2C(=CC=C([C@H](NC3=NC=CC(C)=N3)C3=CC=C(C(F)(F)F)C=C3)C=2O)C=CC=1 |
| InChi Key | PFCKQDHXCWWBSM-GOSISDBHSA-N |
| InChi Code | InChI=1S/C22H17F3N4O/c1-13-10-12-27-21(28-13)29-18(15-4-7-16(8-5-15)22(23,24)25)17-9-6-14-3-2-11-26-19(14)20(17)30/h2-12,18,30H,1H3,(H,27,28,29)/t18-/m1/s1 |
| Chemical Name | 7-[(R)-[(4-methylpyrimidin-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol |
| 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 | Q134R (1-10 μM) inhibits calcineurin activity but reduces NFAT signaling. In primary rat astrocytes, Q134R partially reduces NFAT activity, but neither in vivo nor in vitro, it stops calcineurin-mediated dephosphorylation of a non-NFAT target[1]. |
| ln Vivo | In mouse models of AD-like disease, Q134R (4 mg/kg; oral gavage; twice daily; for 7 days) therapy improves cognitive function[1]. |
| Animal Protocol |
Animal/Disease Models: APP/PS1 mice (12‐month‐old) injected with oligomeric Aβ (oAβ) peptides[1] Doses: 4 mg/kg Route of Administration: Orally gavage; twice per day; for 7 days Experimental Results: Led to improved Y maze performance. |
| References |
[1]. Q134R: Small chemical compound with NFAT inhibitory properties improves behavioral performance and synapse function in mouse models of amyloid pathology. Aging Cell. 2021 Jul;20(7):e13416. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (243.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.07 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 20.8 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: 2.08 mg/mL (5.07 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (5.07 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 20.8 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 | 2.4367 mL | 12.1835 mL | 24.3671 mL | |
| 5 mM | 0.4873 mL | 2.4367 mL | 4.8734 mL | |
| 10 mM | 0.2437 mL | 1.2184 mL | 2.4367 mL |