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| 5mg |
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| 10mg |
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| 25mg |
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Purity: ≥98%
BMX-IN-1 is a novel, potent, selective and covalent / irreversible BMX (bone marrow tyrosine kinase on chromosome X) inhibitor with the potential for treating prostate cancer. BMX-IN-1 can covalently modifies Cys496. It is more than 47–656 times less potent against Blk, JAK3, EGFR, Itk, or Tec activity. It targets Cys496 in the BMX ATP binding domain with an IC50 of 8 nM.It also targets the related Bruton’s tyrosine kinase (BTK) with an IC50 value of 10.4 nM. At two-digit nanomolar concentrations, BMX-IN-1 suppresses the growth of Tel-BMX-transformed Ba/F3 cells, but only at single-digit micromolar concentrations can it suppress the growth of prostate cancer cell lines.
| Targets |
BMX (IC50 = 8 nM); BTK (IC50 = 10.4 nM)
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|---|---|
| ln Vitro |
Tel-BMX-transformed Ba/F3 cells and RV-1 cells show IC50 values of 25 nM and 2.53 μM, respectively, when exposed to BMX-IN-1. BMX-IN-1, which has a S(10) value of 0.01 indicates considerable switching. With an IC50 of 138 nM, BMX-IN-1 single-inhibits wild-type BMX. For BMX-IN-1 to effectively inhibit BMX, Cys496 of BMX must be covalently regulated [1].
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| Cell Assay |
For five days, DMSO, BMX-IN-1 (2.5 μM), MK2206 (200 nM), or the combination of BMX-IN-1 and MK2206 are added to complete or serum-reduced DMEM-treated RV-1 cells. The cells are then harvested using trypsin and rinsed with cold PBS. Following an overnight prechilling at −20°C, the cells are fixed in 70% cold ethanol. Centrifugation is used to gather the cells on the day of flow cytometry. They are then washed with PBS, stained for 30 minutes at room temperature with 50 μg/mL propidium iodide + 0.5 mg/mL RNase in PBS + 0.5% Triton-X100, and stored at 4°C until the analysis is completed. At the Dana-Faber Cancer Institute's Flow Cytometry Core Facility, flow cytometry is carried out using a BD FACScan, and the results are analyzed using ModFit software.
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| References |
| Molecular Formula |
C29H24N4O4S
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|---|---|
| Molecular Weight |
524.59
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| Exact Mass |
524.151
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| Elemental Analysis |
C, 66.40; H, 4.61; N, 10.68; O, 12.20; S, 6.11
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| CAS # |
1431525-23-3
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| Related CAS # |
1431525-23-3
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| PubChem CID |
71576693
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| Appearance |
White to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.708
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| LogP |
3.52
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
38
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| Complexity |
1030
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(C2=C(C=C1)C=NC3=CC=C(C4=CC=C(NS(=O)(C)=O)C=C4)C=C32)C5=CC=C(C)C(NC(C=C)=O)=C5
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| InChi Key |
SFMJNHNUOVADRW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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| Chemical Name |
N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
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| Synonyms |
BMX-IN1; BMX-IN 1; BMX-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) |
DMF: ~10 mg/mL (~19.1 mM)
DMSO: ~8.3 mg/mL (~15.9 mM) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9063 mL | 9.5313 mL | 19.0625 mL | |
| 5 mM | 0.3813 mL | 1.9063 mL | 3.8125 mL | |
| 10 mM | 0.1906 mL | 0.9531 mL | 1.9063 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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