Physicochemical Properties
| Molecular Formula | C19H16CLN3O |
| Molecular Weight | 337.80 |
| Exact Mass | 337.098 |
| CAS # | 269390-69-4 |
| PubChem CID | 9797919 |
| Appearance | White to off-white solid powder |
| LogP | 4.745 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 24 |
| Complexity | 392 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | GGPZCOONYBPZEW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24) |
| Chemical Name | N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)benzamide |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| Targets | KDR 0.02 μM (IC50) Flt-1 0.18 μM (IC50) EGFR 0.24 μM (IC50) |
| References |
[1]. Identification of a new chemical class of potent angiogenesis inhibitors based on conformational considerations and database searching. Bioorg Med Chem Lett. 2003;13(18):2967-2971. |
Solubility Data
| Solubility (In Vitro) | DMSO: 125 mg/mL (370.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (6.16 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.16 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 | 2.9603 mL | 14.8017 mL | 29.6033 mL | |
| 5 mM | 0.5921 mL | 2.9603 mL | 5.9207 mL | |
| 10 mM | 0.2960 mL | 1.4802 mL | 2.9603 mL |