Physicochemical Properties
| Molecular Formula | C10H6N2O5 |
| Molecular Weight | 234.17 |
| Exact Mass | 234.028 |
| CAS # | 35973-25-2 |
| PubChem CID | 225906 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.624g/cm3 |
| Boiling Point | 437.2ºC at 760mmHg |
| Flash Point | 218.2ºC |
| Index of Refraction | 1.674 |
| LogP | 2.07 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Complexity | 411 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BMIZBCVEHSUUNO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15) |
| Chemical Name | 8-nitro-4-oxo-1H-quinoline-3-carboxylic acid |
| Synonyms | DNA2INC5; DNA2 IN C5; DNA2-IN-C5 |
| 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
| References |
[1]. Dna2 inhibitors for cancer treatment. US20170226063A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~31.25 mg/mL (~133.45 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.88 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 (8.88 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 | 4.2704 mL | 21.3520 mL | 42.7040 mL | |
| 5 mM | 0.8541 mL | 4.2704 mL | 8.5408 mL | |
| 10 mM | 0.4270 mL | 2.1352 mL | 4.2704 mL |