| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Aurora A (IC50 = 310 nM); Aurora B (IC50 = 240 nM)
Aurora kinase A (IC50: 0.003 μM for the lead compound in [2]) Aurora kinase B (IC50: 0.01 μM for the lead compound in [2]) [2] |
|---|---|
| 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].
Aurora Kinase Inhibitors (including the novel class in [2]) exhibit potent and selective inhibition of Aurora kinase A and B, which are key regulators of cell cycle progression (centrosome maturation, chromosome segregation, cytokinesis). The lead compound in [2] showed nanomolar inhibitory activity against recombinant Aurora A (IC50=0.003 μM) and Aurora B (IC50=0.01 μM), with no significant cross-reactivity against a panel of other kinases. Treatment of cancer cell lines with the inhibitor induced cell cycle arrest at G2/M phase, accompanied by abnormal chromosome alignment and failure of cytokinesis, leading to polyploidy and cell death [2] Aurora kinases are overexpressed in various human cancers (e.g., breast, colon, leukemia), making their inhibitors potential anticancer agents [1] |
| Enzyme Assay |
Recombinant human Aurora kinase A and B (catalytic domains) were used for kinase inhibition assays.
Assays were performed in a buffer containing ATP, peptide substrate (specific for Aurora kinases), and test compounds, with incubation at 30°C for a specified time. Kinase activity was measured by detecting the phosphorylation of the peptide substrate using a radiometric or fluorescent-based method, and IC50 values were calculated from dose-response curves [2] For selectivity profiling, the lead compound was tested against a panel of 20+ unrelated kinases at a fixed concentration to evaluate cross-reactivity [2] |
| References | |
| Additional Infomation |
Aurora kinase inhibitors target the ATP-binding pocket of Aurora kinase, among which [2] a novel Aurora kinase inhibitor was reported that can form specific hydrogen bonds with key residues at the active site, thereby achieving high efficiency and selectivity.
The crystal structure of the lead compound complexed with Aurora kinase A revealed a unique binding conformation, which is different from previous Aurora inhibitors [2]. Overexpression of Aurora kinase is associated with poor prognosis in cancer patients because it leads to genomic instability and uncontrolled cell proliferation [1]. |
| 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)
|
| 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. View More
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. |
| 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 |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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