Physicochemical Properties
| Molecular Formula | C₁₃H₁₄N₄O |
| Molecular Weight | 242.28 |
| Exact Mass | 242.116 |
| CAS # | 4550-72-5 |
| PubChem CID | 225703 |
| Appearance | Gray to brown solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 381.4±27.0 °C at 760 mmHg |
| Flash Point | 184.5±23.7 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.785 |
| LogP | -0.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 18 |
| Complexity | 242 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | MAPWYRGGJSHAAU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H14N4O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,14-15H2,(H2,16,17,18) |
| Chemical Name | 1,3-bis(4-aminophenyl)urea |
| Synonyms | NSC 15364 NSC 15364 |
| 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 | One of the main targets of medications meant to control cells is the oligomerization of mitochondrial membrane protein potential channel 1 (VDAC1) [1]. |
| References |
[1]. Novel Compounds Targeting the Mitochondrial Protein VDAC1 Inhibit Apoptosis and Protect against Mitochondrial Dysfunction. J Biol Chem. 2016 Nov 25;291(48):24986-25003. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~206.37 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.32 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: ≥ 2.08 mg/mL (8.59 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1275 mL | 20.6373 mL | 41.2746 mL | |
| 5 mM | 0.8255 mL | 4.1275 mL | 8.2549 mL | |
| 10 mM | 0.4127 mL | 2.0637 mL | 4.1275 mL |