Physicochemical Properties
| Molecular Formula | C14H13N3O5 |
| Molecular Weight | 303.27 |
| Exact Mass | 303.085 |
| CAS # | 182498-30-2 |
| PubChem CID | 9796445 |
| Appearance | Light yellow to brown solid powder |
| LogP | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 22 |
| Complexity | 400 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | OC1=CC([N+]([O-])=O)=CC=C1NC(NC1=CC=CC=C1OC)=O |
| InChi Key | KNPLCJZGNRGZAN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H13N3O5/c1-22-13-5-3-2-4-11(13)16-14(19)15-10-7-6-9(17(20)21)8-12(10)18/h2-8,18H,1H3,(H2,15,16,19) |
| Chemical Name | 1-(2-hydroxy-4-nitrophenyl)-3-(2-methoxyphenyl)urea |
| 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]. Cxcr2 receptor antagonists for the treatment or the prevention of insulin resistance. WO2010092440A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~329.74 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.24 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 25.0 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: ≥ 2.5 mg/mL (8.24 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 25.0 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 | 3.2974 mL | 16.4870 mL | 32.9739 mL | |
| 5 mM | 0.6595 mL | 3.2974 mL | 6.5948 mL | |
| 10 mM | 0.3297 mL | 1.6487 mL | 3.2974 mL |