Physicochemical Properties
| Molecular Formula | C23H20N4O3 |
| Molecular Weight | 400.438 |
| Exact Mass | 400.154 |
| Elemental Analysis | C, 68.99; H, 5.03; N, 13.99; O, 11.99 |
| CAS # | 331770-21-9 |
| Related CAS # | 331770-21-9 |
| PubChem CID | 6610278 |
| Appearance | White to yellow solid powder |
| LogP | 4.788 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 30 |
| Complexity | 549 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C)C1C(=CC2=C(C=1)C(=NC=N2)NC1C=CC(=CC=1)NC(C1C=CC=CC=1)=O)OC |
| InChi Key | IMYVCWQAHSYYOO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26) |
| Chemical Name | N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide |
| Synonyms | IUN-70219; IUN 70219; IUN70219; Aurora Kinase Inhibitor-II; Aurora Kinase Inhibitor II |
| 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
| Targets | Aurora A (IC50 = 310 nM); Aurora B (IC50 = 240 nM) |
| ln Vitro | Aurora kinase inhibitor-2 (Compound 1) exhibits superior levels of inhibition of the Aurora A enzyme and also shows good efficacy in the MCF7 cellular anti-proliferative assay (IC50 value of 1.25 µM)[2]. |
| References |
[1]. Progress in the development of selective inhibitors of aurora kinases. Curr Top Med Chem. 2005;5(8):807-21. [2]. SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1320-3 |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~249.7 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.24 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 25.0 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: ≥ 2.5 mg/mL (6.24 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.19 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4973 mL | 12.4863 mL | 24.9725 mL | |
| 5 mM | 0.4995 mL | 2.4973 mL | 4.9945 mL | |
| 10 mM | 0.2497 mL | 1.2486 mL | 2.4973 mL |