BX430 is a novel, potent, selective allosteric/con-competitive antagonist of human P2X4 receptor channels with an IC50 of 0.54 μM. It has the potential to be used for chronic pain and cardiovascular disease.
Physicochemical Properties
| Molecular Formula | C15H15BR2N3O |
| Molecular Weight | 413.107 |
| Exact Mass | 410.958 |
| CAS # | 688309-70-8 |
| PubChem CID | 2810999 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 395.4±42.0 °C at 760 mmHg |
| Flash Point | 192.9±27.9 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.679 |
| LogP | 4.56 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 21 |
| Complexity | 342 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | JFNKIJKRXKPQCC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) |
| Chemical Name | N-[2,6-Dibromo-4-(1-methylethyl)phenyl]-N'-3-pyridinyl-urea |
| Synonyms | BX430 BX-430 BX 430 |
| 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) |
Biological Activity
| ln Vitro | P2X1–P2X3, P2X5 and P2X7 are the additional P2X isoforms on which BX430 has minimal functional influence [1]. While BX430 has little effect on junctional and connector P2X4 homologues, it is a powerful single antioxidant against zebrafish P2X4 [1]. Human P2X4-expressing cells treated with thapsigargin plus BX430 demonstrated a large rise in intracellular calcium caused by ATP [1]. In THP-1 cells, BX430 (5 μM) dramatically lowers ATP-induced intracellular calcium []. 1]. |
| References |
[1]. Identification and characterization of a selective allosteric antagonist of human P2X4 receptor channels. Mol Pharmacol. 2015 Apr;87(4):606-16. [2]. Pharmacological and genetic characterisation of the canine P2X4 receptor. Br J Pharmacol. 2020 Feb 4. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~83.33 mg/mL (~201.71 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.03 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 20.8 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: ≥ 2.08 mg/mL (5.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4207 mL | 12.1033 mL | 24.2066 mL | |
| 5 mM | 0.4841 mL | 2.4207 mL | 4.8413 mL | |
| 10 mM | 0.2421 mL | 1.2103 mL | 2.4207 mL |