Physicochemical Properties
| Molecular Formula | C15H12CLN5 |
| Molecular Weight | 297.74 |
| Exact Mass | 297.078 |
| CAS # | 92434-13-4 |
| PubChem CID | 3145916 |
| Appearance | Light yellow to green yellow solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 552.7±42.0 °C at 760 mmHg |
| Flash Point | 288.1±27.9 °C |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.725 |
| LogP | 2.67 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 21 |
| Complexity | 378 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | RGJFEUSQLIFRJG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H12ClN5/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18/h1-8H,(H4,17,18,19,20,21) |
| Chemical Name | 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. 2-guanidino-4-aryl-chinazoline als nhe-3-inhibitoren. WO2001079186A1. |
| Additional Infomation | 2-(6-chloro-4-phenyl-2-quinazolinyl)guanidine is a member of pyrimidines. |
Solubility Data
| Solubility (In Vitro) | DMSO: 3.33 mg/mL (11.18 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.33 mg/mL (1.11 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 3.3 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: ≥ 0.33 mg/mL (1.11 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 3.3 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 | 3.3586 mL | 16.7932 mL | 33.5864 mL | |
| 5 mM | 0.6717 mL | 3.3586 mL | 6.7173 mL | |
| 10 mM | 0.3359 mL | 1.6793 mL | 3.3586 mL |