Physicochemical Properties
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.267 |
| Exact Mass | 268.085 |
| CAS # | 86443-19-8 |
| PubChem CID | 327508 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 2.253 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 20 |
| Complexity | 446 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | YUPWGIFULUYTQG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H12N2O3/c1-2-20-15(19)11-8-17-13-10(14(11)18)6-5-9-4-3-7-16-12(9)13/h3-8H,2H2,1H3,(H,17,18) |
| Chemical Name | ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate |
| 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 | 1,4-DPCA ethyl ester is a tricyclic substance that suppresses the regulatory factor HIF (FIH) [1]. |
| References |
[1]. The inhibition of factor inhibiting hypoxia-inducible factor (FIH) by beta-oxocarboxylic acids. Chem Commun (Camb). 2005 Nov 21;(43):5438-40. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~20.83 mg/mL (~77.65 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.75 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 (7.75 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 | 3.7276 mL | 18.6379 mL | 37.2759 mL | |
| 5 mM | 0.7455 mL | 3.7276 mL | 7.4552 mL | |
| 10 mM | 0.3728 mL | 1.8638 mL | 3.7276 mL |