CAS 1228817-38-6|Mps1-IN-2
Introduction：Basic information about CAS 1228817-38-6|Mps1-IN-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Mps1-IN-2 | ||
|---|---|---|---|
| CAS Number | 1228817-38-6 | Molecular Weight | 480.602 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 772.7±70.0 °C at 760 mmHg |
| Molecular Formula | C26H36N6O3 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 421.1±35.7 °C |
Names
| Name | Msp1-IN-2 |
|---|---|
| Synonym | More Synonyms |
Mps1-IN-2 BiologicalActivity
| Description | Mps1-IN-2 is a potent, selective and ATP-competitive dual Mps1/Plk1 inhibitor, with an IC50 and a Kd of 145 nM and 12 nM for Mps1 and a Kd of 61 nM for Plk1. |
|---|---|
| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>Mps1Signaling Pathways >>Cytoskeleton >>Mps1Signaling Pathways >>Cell Cycle/DNA Damage >>Polo-like Kinase (PLK)Research Areas >>Cancer |
| Target | Mps1:12 nM (Kd) GAK:140 nM (Kd) PLK1:61 nM (Kd) PLK3:1600 nM (Kd) PLK4:3100 nM (Kd) STK33:5000 nM (Kd) |
| In Vitro | Mps1-IN-2 is a potent, selective and ATP-competitive Mps1 kinase inhibitor, with an IC50 and a Kd of 145 nM and 12 nM. Mps1-IN-2 also shows high affinity for PLK1 and GAK with Kds of 61 and 140 nM, respectively, but shows little or no inhibition on other 352 member kinases. Mps1-IN-2 can induces bypass of a checkpoint-mediated mitotic arrest in U2OS cells[1]. |
| Kinase Assay | The kinase binding assay is used to assess compound binding to TTK by monitoring displacement of a fluorescently labeled, ATP site-directed kinase inhibitor (Kinase Tracer 236) from the kinase active site. Each 15 μL assay contains 5 nM TTK, variable amounts of test compound (Mps1-IN-2), 30 nM Kinase Tracer 236, 2 nM Eu-anti-GST Antibody, and 1% DMSO (residual from compound dilution) in Kinase Buffer A (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35). Binding assays are initiated by addition of 5 μL of test compound (from 2-fold dilution series) to 5 μL of a kinase/antibody mixture, followed by addition of 5 μL of antibody. Assay plates are read using using standard Eu-based TR-FRET settings with excitation at 340 nm and emission monitored at 615 nm (donor) and 665 nm (acceptor). Emission intensities are measured over a 200 µs window following a 100 µs post-excitation delay[1]. |
| 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. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 772.7±70.0 °C at 760 mmHg |
| Molecular Formula | C26H36N6O3 |
| Molecular Weight | 480.602 |
| Flash Point | 421.1±35.7 °C |
| Exact Mass | 480.284882 |
| PSA | 94.06000 |
| LogP | 2.05 |
| Vapour Pressure | 0.0±2.8 mmHg at 25°C |
| Index of Refraction | 1.633 |
| InChIKey | WELBJLUKWAJOQV-UHFFFAOYSA-N |
| SMILES | CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C |
| Storage condition | 2-8℃ |
Safety Information
| RIDADR | NONH for all modes of transport |
|---|
Synonyms
| 6H-Pyrimido[4,5-b][1,4]diazepin-6-one, 9-cyclopentyl-2-[[2-ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,7,8,9-tetrahydro-5-methyl- |
| 9-Cyclopentyl-2-{[2-ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one |
| Mps1-IN-2 |
