| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 2mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| 500mg |
|
||
| Other Sizes |
|
Purity: ≥98%
| Targets |
Mps1 (IC50 = 1 nM)
|
|---|---|
| ln Vitro |
Empesertib (BAY1161909) is a very potent Mps-1 inhibitor, showing an IC50 lower than 400 nM in a HeLa cell proliferation assay and an IC50 lower than or equal to 1 nM (more potent than 1 nM) in an Mps-1 kinase assay with a concentration of 1 μM/2 mM ATP.[1]
|
| ln Vivo |
Empesertib (BAY1161909) is an extremely potent Mps-1 inhibitor. Its maximum oral bioavailability (Fmax) in rats is greater than 70%, as measured by rat liver microsomes; similarly, its maximum oral bioavailability (Fmax) in dogs is greater than 50%, as measured by dog liver microsomes; and its maximum oral bioavailability in humans is greater than 60%, as measured by human liver microsomes.[1]
|
| Cell Assay |
On a 96-well multititer plate, cultured tumor cells are plated at densities of 5000 cells/well (MCF7, DU145, HeLa-MaTu-ADR), 3000 cells/well (NCI-H460, HeLa-MaTu, HeLa), or 1000 cells/well (B16F10) in 200 μl of each of their five growth media supplementsed with 10% fetal calf serum." The test substances are added to the fresh culture medium (200 μl) in the other plates, which has been replaced with varying concentrations (0 μM, as well as in the range of 0.01-30 μM). The cells are incubated for 4 days in the presence of the test substances. After 24 hours, the cells on one plate (the zero-point plate) are stained with crystal violet. Cell proliferation is assessed by staining the cells with crystal violet. To fix the cells, add 20 μl/measuring point of an 11% glutaric aldehyde solution and let it sit at room temperature for 15 minutes. The fixed cells 15 are washed three times with water, and then the plates are dried at room temperature. Staining the cells involves adding 100 μl/measuring point of a 0.1% crystal violet solution (pH 3.0). The plates are dried at room temperature following three rounds of water washing for the stained cells. To dissolve the dye, add 100 μl/measuring point of a 10% acetic acid solution.
|
| Animal Protocol |
rat, dog and humans
1-2 mg/mL Oral gavage, IV |
| References | |
| Additional Infomation |
Empesertib is an orally bioavailable, selective inhibitor of the serine/threonine monopolar spindle 1 (Mps1) kinase, with potential antineoplastic activity. Upon administration, empesertib binds to and inhibits the activity of Mps1. This causes inactivation of the spindle assembly checkpoint (SAC), accelerated mitosis, chromosomal misalignment, chromosomal missegregation, mitotic checkpoint complex destabilization, and increased aneuploidy. This leads to the induction of cell death in cancer cells overexpressing Mps1. Mps1, a kinase expressed in proliferating normal tissues and aberrantly overexpressed in a wide range of human tumors, is activated during mitosis and is essential for SAC functioning and controls chromosome alignment.
|
| Molecular Formula |
C29H26FN5O4S
|
|---|---|
| Molecular Weight |
559.61
|
| Exact Mass |
559.168
|
| Elemental Analysis |
C, 62.24; H, 4.68; F, 3.39; N, 12.51; O, 11.44; S, 5.73
|
| CAS # |
1443763-60-7
|
| Related CAS # |
1443763-60-7;2170218-39-8;2170218-40-1 (tosylate hydrate);
|
| PubChem CID |
71599640
|
| Appearance |
White to off-white solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Index of Refraction |
1.658
|
| LogP |
4.44
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
40
|
| Complexity |
951
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C1(F)=CC=C(C=C1)[C@@H](C)C(NC1C=CC(C2C=CC3N(C=2)N=C(NC2C=CC(S(C)(=O)=O)=CC=2OC)N=3)=CC=1)=O
|
| InChi Key |
NRJKIOCCERLIDG-GOSISDBHSA-N
|
| InChi Code |
InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
|
| Chemical Name |
(2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
|
| Synonyms |
Empesertib; Mps1-IN-5; BAY1161909; BAY-1161909; BAY 1161909
|
| 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 |
| 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: ≥ 35 mg/mL (~62.5 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.47 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.
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. Solubility in Formulation 2: 2.5 mg/mL (4.47 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 | 1.7870 mL | 8.9348 mL | 17.8696 mL | |
| 5 mM | 0.3574 mL | 1.7870 mL | 3.5739 mL | |
| 10 mM | 0.1787 mL | 0.8935 mL | 1.7870 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA