| Size | Price | Stock | Qty |
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| 1mg |
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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 |
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| Other Sizes |
| Targets |
Aurora A 18.975 nM (IC50) Aurora B 0.316 nM (IC50)
SP-96 targets Aurora B kinase, a key regulator of mitosis involved in chromosome segregation and cytokinesis. It is a non-ATP-competitive inhibitor, meaning it binds to a site distinct from the ATP-binding pocket. This unique mechanism of action contributes to its high selectivity, with >2000-fold selectivity against FLT3 and KIT. Aurora B is a validated target in cancer therapy. |
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| ln Vitro |
SP-96 is a very strong, focused, and non-ATP competitive inhibitor of Aurora B (IC50=0.316 nM) that exhibits >2000 fold selectivity against KIT (IC50=1307.6 nM) and FLT3 (IC50=1475.6 nM) [1]. While SP-96 (0-1 μM; 24 hours) is not promiscuous, it is selective for certain cell lines, as evidenced by its GI50 values of 107 nM, 47.4 nM, 50.3 nM, and 53.2 nM for MDA-MB-468, CCRF-CEM, COLO 205, and A498 cells, respectively[1]. By raising the DNA content and causing the cell volume and nucleus to enlarge, SP-96 (63.2 nM) suppresses the Aurora B activity of H460 cells [1]. The enzyme activity of Aurora B is inhibited by SP-96 (0-2 μM) at an IC50 of 0.316 nM, while Aurora A enzyme activity is inhibited at an IC50 of 18.975 nM. More than 2000-fold selectivity is shown by SP-96 for both KIT (IC50=1307.6 nM) and FLT3 (IC50=1475.6 nM). Moreover, it has an IC50 value of less than 2 μM and inhibits the activity of EGFR, RET, and HER2 receptor tyrosine kinases (RTKs) [1].
In vitro, SP-96 potently inhibits Aurora B kinase with an IC50 of 0.316 nM. It shows >2000-fold selectivity against FLT3 and KIT. SP-96 demonstrates selective growth inhibition in NCI60 screening, with potent activity against MDA-MB-468 triple-negative breast cancer cells (GI50 = 107 nM). It is a promising antitumor agent. |
| ln Vivo |
In vivo data for SP-96 are limited. As an Aurora B inhibitor, it is expected to have potential for treating triple-negative breast cancer (TNBC). However, specific in vivo studies have not been detailed in the available literature. Further research is needed to evaluate its efficacy and safety in animal models.
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| Enzyme Assay |
The in vitro kinase assay for SP-96 involves measuring its inhibitory activity against Aurora B. This is a biochemical assay using recombinant Aurora B kinase. The compound's IC50 of 0.316 nM is determined from these assays. Its selectivity against FLT3 and KIT is confirmed using similar kinase assays.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: MDA-MB-468, CCRF-CEM, COLO 205 and A498 cell Tested Concentrations: 0 -1 µM Incubation Duration: 24 hrs (hours) Experimental Results: demonstrated good inhibitory activity on MDA-MB-468 cells. Cellular assays for SP-96 are performed using various cancer cell lines, including MDA-MB-468 triple-negative breast cancer cells. Cells are treated with the compound, and cell viability is assessed to determine GI50 values. The NCI60 cell line panel is used to assess its selectivity. |
| Animal Protocol |
In vivo animal protocols for SP-96 are not available in the literature. As an Aurora B inhibitor, it would typically be evaluated in mouse xenograft models of triple-negative breast cancer. However, such studies have not been reported. The compound is currently used primarily for in vitro research.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of SP-96 have not been characterized. It is a small molecule with a molecular weight of 369.34. The compound is typically dissolved in DMSO for in vitro studies. Further studies are needed to determine its ADME profile.
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| Toxicity/Toxicokinetics |
Toxicity data for SP-96 are limited. As an Aurora B inhibitor, it may have on-target toxicities related to its role in mitosis. The compound is intended for research use only and is not approved for human therapeutic use. Comprehensive toxicological studies are needed.
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| References | |
| Additional Infomation |
SP-96 is a potent and selective Aurora B inhibitor with an IC50 of 0.316 nM. It is non-ATP-competitive and shows >2000-fold selectivity against FLT3 and KIT. The compound has shown activity against triple-negative breast cancer cells and is used as a research tool for studying Aurora B kinase.
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| Molecular Formula |
C25H20FN7O
|
|---|---|
| Molecular Weight |
453.47
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| Exact Mass |
453.171
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| CAS # |
2682114-54-9
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| PubChem CID |
154573766
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
684
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(NC(=O)NC2=CC=CC(NC3=NC=NC4C3=CC=C(C=4)C3C=NN(C)C=3)=C2)=CC(=CC=C1)F
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| InChi Key |
CGDYRZUPKPBLND-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H20FN7O/c1-33-14-17(13-29-33)16-8-9-22-23(10-16)27-15-28-24(22)30-20-6-3-7-21(12-20)32-25(34)31-19-5-2-4-18(26)11-19/h2-15H,1H3,(H,27,28,30)(H2,31,32,34)
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| Chemical Name |
1-(3-fluorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (220.52 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.51 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2052 mL | 11.0261 mL | 22.0522 mL | |
| 5 mM | 0.4410 mL | 2.2052 mL | 4.4104 mL | |
| 10 mM | 0.2205 mL | 1.1026 mL | 2.2052 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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