| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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Mps1-IN-1 is a novel, ATP-competitive, selective and potent Mps1 kinase inhibitor with antitumor activity. Its IC50 and Kd are 367 nM and 27 nM, respectively, indicating that it inhibits Mps1 kinase.
| Targets |
Mps1 (IC50 = 367 nM); Mps1 (Kd = 27 nM); ALK (Kd = 21 nM); LTK (Kd = 29 nM); PYK2 (Kd = 280 nM); FAK (Kd = 440 nM); IGF1R (Kd = 750 nM); INSR (Kd = 470 nM); CLK1 (Kd = 1900 nM); ERK2 (Kd = 2900 nM); INSRR (Kd = 1200 nM); TNK1 (Kd = 2600 nM); TNK2 (Kd = 3100 nM); GAK (Kd = 1100 nM)
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| ln Vitro |
Mps1-IN-1 has IC50 and Kd values of 367 and 27 nM, respectively. It is a strong, selective, and ATP-competitive Mps1 substitute. With Kd values of 21 and 39 nM, respectively, Mps1-IN-1 likewise has significant affinity for ALK and LTK, but its inhibitory effect on the 352 halted members is negligible. In U2OS cells, Mps1-IN-1 (5,10 μM) causes mitotic branching controlled by route checkpoints. 1 lowers the phosphorylation state of Aurora B at threonine 232 (Thr232) and interferes with Mad2's recruitment to centromeres. There is no impact of Mps1-IN-1 (10 μM) on centrosome duplication. Furthermore, Mps1-IN-1 (5–10 μM) prevents HCT116 from proliferating [1].
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| Enzyme Assay |
The ATP site-directed kinase inhibitor Kinase Tracer 236 is fluorescently labeled, and its displacement from the kinase active site is monitored in the kinase binding assay to evaluate compound binding to TTK. 5 nM TTK, varying concentrations of test compound (Mps1-IN-1), 30 nM Kinase Tracer 236; 2 nM Eu-anti-GST Antibody; and 1% DMSO (remaining after compound dilution) are all included in each 15 μL assay. Kinase Buffer A comprises 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, and 0.01% Brij-35. In binding assays, 5 μL of a kinase/antibody mixture and 5 μL of the test compound (from the 2-fold dilution series) are added first, and then 5 μL of the antibody. Standard Eu-based TR-FRET settings are used to read assay plates, with excitation occurring at 340 nm and emission being observed at 615 nm (donor) and 665 nm (acceptor). A 100 µs post-excitation delay is followed by a 200 µs window for measuring emission intensities[1].
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| Cell Assay |
In 96-well plates, U2OS cells expressing PLK4 that is induced by doxycycline are plated. The protocol for a double thymidine block is as follows: thymidine for 18–20 hours, release for 10 hours (doxycycline induction of PLK4 during this time), and then another thymidine block and release. Mps1-IN-1 (or DMSO vehicle) is added six hours after the second thymidine release, and the Cell Titer GLO assay is used to track the proliferation of the cell populations[1].
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| References |
[1]. Kwiatkowski N, et al. Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat Chem Biol. 2010 May;6(5):359-68
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| Molecular Formula |
C28H33N5O4S
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| Molecular Weight |
535.65772
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| Exact Mass |
535.23
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| Elemental Analysis |
C, 62.78; H, 6.21; N, 13.07; O, 11.95; S, 5.99
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| CAS # |
1125593-20-5
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| Related CAS # |
1125593-20-5
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| Appearance |
Solid powder
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| SMILES |
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC
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| InChi Key |
NMJMRSQTDLRCRQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
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| Chemical Name |
-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol
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| Synonyms |
Mps1 IN 1; Mps1-IN-1; Mps1-IN 1; Mps1 IN-1
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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: ≥ 39 mg/mL (~72.8 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.67 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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 | 1.8669 mL | 9.3343 mL | 18.6686 mL | |
| 5 mM | 0.3734 mL | 1.8669 mL | 3.7337 mL | |
| 10 mM | 0.1867 mL | 0.9334 mL | 1.8669 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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