Introduction：Basic information about CAS 1431525-23-3|BMX-IN-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | BMX-IN-1 |
|---|
| CAS Number | 1431525-23-3 | Molecular Weight | 524.590 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | / |
|---|
| Molecular Formula | C29H24N4O4S | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | BMX-IN-1 |
|---|
| Synonym | More Synonyms |
|---|
BMX-IN-1 BiologicalActivity
| Description | BMX-IN-1 is a selective, irreversible inhibitor of bone marrow tyrosine kinase on chromosome X (BMX) that targets Cys496 in the BMX ATP binding domain with an IC50 of 8 nM, also targets the related Bruton’s tyrosine kinase (BTK) with an IC50 value of 10.4 nM, but is more than 47-656-fold less potent against Blk, JAK3, EGFR, Itk, or Tec activity. |
|---|
| Related Catalog | Signaling Pathways >>Protein Tyrosine Kinase/RTK >>BMX KinaseSignaling Pathways >>Protein Tyrosine Kinase/RTK >>BtkResearch Areas >>Cancer |
|---|
| Target | IC50: 8 nM (BMX), 10.4 nM (BTK) |
|---|
| In Vitro | BMX-IN-1 inhibits the proliferation of Tel-BMX-transformed Ba/F3 cells and RV-1 cells with IC50s of 25 nM and 2.53 μM. BMX-IN-1 exhibits remarkable selectivity with an S(10) score of 0.01. BMX-IN-1 inhibits only wild-type BMX with an IC50 of 138 nM. BMX-IN-1 requires covalent modification of Cys496 of BMX to achieve potent inhibition[1]. |
|---|
| Cell Assay | RV-1 cells in complete or serum-reduced DMEM are treated with DMSO, BMX-IN-1 (2.5 μM), MK2206 (200 nM), or the combination of BMX-IN-1 and MK2206 for 5 days before cells are harvested by trypsin and washed with cold PBS. The cells are then fixed in 70% cold ethanol (prechilled at −20°C) and incubated at 4°C overnight. On the day of flow cytometry, cells are collected by centrifugation, washed with PBS, and stained in 50 μg/mL propidium iodide + 0.5 mg/mL RNase in PBS + 0.5% Triton-X100 for 30 min at RT and moved to 4°C until the time of analysis. Flow cytometry is performed using a BD FACScan, and results are analyzed by ModFit software in the Flow Cytometry Core Facility in Dana-Faber Cancer Institute. |
|---|
| References | [1]. Feiyang Liu , et al. Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer. ACS Chem. Biol., DOI: 10.1021/cb4000629 |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Molecular Formula | C29H24N4O4S |
|---|
| Molecular Weight | 524.590 |
|---|
| Exact Mass | 524.151855 |
|---|
| LogP | 3.52 |
|---|
| Index of Refraction | 1.708 |
|---|
| InChIKey | SFMJNHNUOVADRW-UHFFFAOYSA-N |
|---|
| SMILES | C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C |
|---|
| Storage condition | 2-8℃ |
|---|
Synonyms
| 2-Propenamide, N-[2-methyl-5-[9-[4-[(methylsulfonyl)amino]phenyl]-2-oxobenzo[h][1,6]naphthyridin-1(2H)-yl]phenyl]- |
| MFCD25372042 |
| BMX-IN-1 |
| N-{2-Methyl-5-[9-{4-[(methylsulfonyl)amino]phenyl}-2-oxobenzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}acrylamide |
