TC Mps1 12Mps1 inhibitor CAS# 1206170-62-8 |
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Quality Control & MSDS
3D structure
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| Cas No. | 1206170-62-8 | SDF | Download SDF |
| PubChem ID | 70682875 | Appearance | Powder |
| Formula | C17H20N6O | M.Wt | 324.38 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 20 mM in ethanol with gentle warming | ||
| Chemical Name | 4-[[4-amino-6-(tert-butylamino)-5-cyanopyridin-2-yl]amino]benzamide | ||
| SMILES | CC(C)(C)NC1=C(C(=CC(=N1)NC2=CC=C(C=C2)C(=O)N)N)C#N | ||
| Standard InChIKey | XDEFNAWAKYQBQY-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Potent and selective monopolar spindle 1 (Mps1) inhibitor (IC50 = 6.4 nM). Selective for Mps1 over a panel of 95 kinases including JNK. Inhibits A549 lung carcinoma cell proliferation and attenuates A549 cell xenograft growth in mice. Orally active. |
TC Mps1 12 Dilution Calculator
TC Mps1 12 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.0828 mL | 15.414 mL | 30.828 mL | 61.6561 mL | 77.0701 mL |
| 5 mM | 0.6166 mL | 3.0828 mL | 6.1656 mL | 12.3312 mL | 15.414 mL |
| 10 mM | 0.3083 mL | 1.5414 mL | 3.0828 mL | 6.1656 mL | 7.707 mL |
| 50 mM | 0.0617 mL | 0.3083 mL | 0.6166 mL | 1.2331 mL | 1.5414 mL |
| 100 mM | 0.0308 mL | 0.1541 mL | 0.3083 mL | 0.6166 mL | 0.7707 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Target: Monopolar spindle 1 (Mps1)
IC50: 6.4 nM
TC Mps1 12 is a potent and selective monopolar spindle 1 (Mps1) inhibitor with IC50 value of 6.4 nM [1]. Monopolar spindle 1 (Mps1), also known as TTK, plays a critical role in the spindle assembly checkpoint, centrosome duplication, and the maintenance of chromosomal stability. Mps1 is highly expressed in cancer cells and activated during mitosis. Therefore, Mps1 is a promising anticancer drug target [1].
In vitro: TC Mps1 12 displayed an excellent selectivity profile in a panel of 95 kinases, except for the Flt3 and Flt3 mutants (D835Y) [1]. TC Mps1 12 showed cellular inhibition of Mps1with an IC50 value of 131 nM in cell line that stably expresses FLAG-tagged Mps1. In addition, TC Mps1 12 inhibited the growth of A549 lung carcinoma cell lines with IC50 value of 0.84 μM [1].
In vivo: TC Mps1 12 (25 mg/kg, oral administration) treatment showed good pharmacokinetic (PK) properties with a Cmax of 3542 ng/mL and AUC of 6604 ng h/mL in mice [1]. Moreover, TC Mps1 12 (25 to 100 mg/kg, oral administration) dose-dependently inhibited the tumor growth of A549 cells without body weight loss in the mouse A549 xenograft model [1].
Reference:
1. Kusakabe K, Ide N, Daigo Y, Itoh T, Higashino K, Okano Y, et al. Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. ACS Med Chem Lett. 2012;3(7):560-4.
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TC Mps1 12, a novel Mps1 inhibitor, suppresses the growth of hepatocellular carcinoma cells via the accumulation of chromosomal instability.[Pubmed:28299790]
Br J Pharmacol. 2017 Jun;174(12):1810-1825.
BACKGROUND AND PURPOSE: Chromosomal instability is not only a hallmark of cancer but also an attractive therapeutic target. A diverse set of mitotic kinases maintains chromosomal stability. One of these is monopolar spindle 1 (Mps1, also known as TTK), which is essential for chromosome alignment and for the spindle assembly checkpoint (SAC). Pharmacological inhibition of Mps1 has been suggested as a cancer therapeutic; however, despite the existence of a novel Mps1 inhibitor, TC Mps1 12, no such studies have been performed. EXPERIMENTAL APPROACH: The effects of TC Mps1 12 on cell viability, chromosome alignment, centrosome number, mitotic duration, apoptosis and SAC were determined in hepatocellular carcinoma (HCC) cells. In addition, the association of Mps1 expression with the overall survival of HCC patients was analysed. KEY RESULTS: Treatment of human HCC cells with TC Mps1 12 led to chromosome misalignment and missegregation, and disorganization of centrosomes. Even in the presence of these errors, TC Mps1 12-treated cells overrode the SAC, resulting in a shortened mitotic duration and mitotic slippage. This mitotic catastrophe triggered apoptosis and, finally, inhibited the growth of HCC cells. In addition, the expression of the Mps1-encoding TTK gene was associated with poor overall survival of HCC patients. CONCLUSION AND IMPLICATIONS: TC Mps1 12 results in the accumulation of chromosomal instabilities and mitotic catastrophe in HCC cells. Overall, these data demonstrate that the inhibition of Mps1 kinase using TC Mps1 12 is a promising therapeutic approach for liver cancer.
Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.[Pubmed:24900510]
ACS Med Chem Lett. 2012 Jun 6;3(7):560-4.
Monopolar spindle 1 (Mps1) is an attractive cancer drug target due to the important role that it plays in centrosome duplication, the spindle assembly checkpoint, and the maintenance of chromosomal stability. A design based on JNK inhibitors with an aminopyridine scaffold and subsequent modifications identified diaminopyridine 9 with an IC50 of 37 nM. The X-ray structure of 9 revealed that the Cys604 carbonyl group of the hinge region flips to form a hydrogen bond with the aniline NH group in 9. Further optimization of 9 led to 12 with improved cellular activity, suitable pharmacokinetic profiles, and good in vivo efficacy in the mouse A549 xenograft model. Moreover, 12 displayed excellent selectivity over 95 kinases, indicating the contribution of its unusual flipped-peptide conformation to its selectivity.
