Physicochemical Properties
| Molecular Formula | C₂₀H₂₂CLF₃N₂O₃ |
| Molecular Weight | 430.85 |
| Exact Mass | 430.127 |
| CAS # | 1311423-89-8 |
| Related CAS # | YF-2 hydrochloride;1312005-62-1 |
| PubChem CID | 53230697 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 5.334 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 29 |
| Complexity | 522 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | TZHLDFAKTWDTOW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H22ClF3N2O3/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24/h5-9,12H,4,10-11H2,1-3H3,(H,25,27) |
| Chemical Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxy-benzamide |
| Synonyms | YF2 YF-2 YF 2 |
| 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 | YF-2 (0.03, 0.1, 0.25, 0.5, 1, 2.5, 5, 15, 40 and 80 μM, 72 hours) suppresses the swelling of U251, CCRF-CEM, Hs578T, NCI-ADR-RES cells [1]. |
| ln Vivo | Under 20 mg/kg simulation, YF-2 (20 mg/kg, 2 hours before shock or 5 mg/kg, 30 minutes before shock, ip) has no influence on the model's model memory and can fix flaws in the simulation memory [ 1]. |
| References |
[1]. HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF. WO 2011072243A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 125 mg/mL (~290.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.83 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 (4.83 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 (4.83 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 | 2.3210 mL | 11.6050 mL | 23.2099 mL | |
| 5 mM | 0.4642 mL | 2.3210 mL | 4.6420 mL | |
| 10 mM | 0.2321 mL | 1.1605 mL | 2.3210 mL |