Physicochemical Properties
| Molecular Formula | C23H24O2 |
| Molecular Weight | 332.44 |
| Exact Mass | 332.177 |
| CAS # | 104561-41-3 |
| PubChem CID | 10314719 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 484.7±45.0 °C at 760 mmHg |
| Flash Point | 225.8±23.4 °C |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.611 |
| LogP | 8.21 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 565 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O([H])C(C1C([H])=C([H])C(=C([H])C=1[H])C#CC1C([H])=C([H])C2=C(C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=O |
| InChi Key | OQVLOWLEEHYBJH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25) |
| Chemical Name | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid |
| Synonyms | AGN 190205 AGN190205 AGN-190205 |
| 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 | Neural differentiation induced by EC23 (AGN 190205) is accompanied by elevated levels of stathmin and profilin-1. In the TERA2.cl.SP12 cell line, EC23 stimulates the expression of recognized cellular retinoid-binding proteins [1]. |
| References | [1]. Maltman DJ, et al. Proteomic profiling of the stem cell response to retinoic acid and synthetic retinoid analogues: identification of major retinoid-inducible proteins. Mol Biosyst. 2009 May;5(5):458-71. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~376.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (6.26 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (6.26 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 (6.26 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 | 3.0081 mL | 15.0403 mL | 30.0806 mL | |
| 5 mM | 0.6016 mL | 3.0081 mL | 6.0161 mL | |
| 10 mM | 0.3008 mL | 1.5040 mL | 3.0081 mL |