CAY10526 (CAY-10526) is a novel and potent inhibitor of mPGES-1(microsomal PGE2 synthase-1, also an inhibitor of NF-κB signaling pathway. CAY10526 significantly suppresses tumor growth and increases apoptosis in melanoma xenografts.
Physicochemical Properties
| Molecular Formula | C12H7BRO3S |
| Molecular Weight | 311.14 |
| Exact Mass | 309.929 |
| CAS # | 938069-71-7 |
| PubChem CID | 16220835 |
| Appearance | Off-white to yellow solid powder |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 561.7±50.0 °C at 760 mmHg |
| Flash Point | 293.5±30.1 °C |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.791 |
| LogP | 2.54 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Complexity | 382 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ICCDILPNCJIDAW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H7BrO3S/c13-10-9(11(14)16-12(10)15)8-5-6-3-1-2-4-7(6)17-8/h1-5,11,14H |
| Chemical Name | 3-(1-benzothiophen-2-yl)-4-bromo-2-hydroxy-2H-furan-5-one |
| Synonyms | CAY 10526 CAY-10526 CAY10526 |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| References | Microsomal PGE2 synthase-1 regulates melanoma cell survival and associates with melanoma disease progression. Pigment Cell Melanoma Res. 2016 May;29(3):297-308. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~66.67 mg/mL (~214.27 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (8.03 mM) 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; with sonication. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2140 mL | 16.0699 mL | 32.1399 mL | |
| 5 mM | 0.6428 mL | 3.2140 mL | 6.4280 mL | |
| 10 mM | 0.3214 mL | 1.6070 mL | 3.2140 mL |