DY-268 is a novel and potent FXR antagonist (IC50 = 7.5 nM).and it is a trisubstituted-pyrazol carboamide based compound without displaying any FXR agonistic activity and cytotoxicity.
Physicochemical Properties
| Molecular Formula | C30H32N4O5S |
| Molecular Weight | 560.67 |
| Exact Mass | 560.209 |
| CAS # | 1609564-75-1 |
| Related CAS # | 1609564-75-1 |
| PubChem CID | 90656831 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Index of Refraction | 1.638 |
| LogP | 3.65 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 40 |
| Complexity | 931 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | KQSPAAPFKIEUGH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,35) |
| Chemical Name | 1-[(3-Methoxyphenyl)methyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(4-methylphenyl)-1H-pyrazole-4-carboxamide |
| Synonyms | DY268DY 268 DY-268 |
| 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
| References | : Effect of the chemical impurities on the luminescence emission of natural apatites. Spectrochim Acta A Mol Biomol Spectrosc. 2014 May 21;126:142-7. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~89.18 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (8.92 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 50.0 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: ≥ 5 mg/mL (8.92 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 50.0 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. Solubility in Formulation 3: ≥ 5 mg/mL (8.92 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 50.0 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 | 1.7836 mL | 8.9179 mL | 17.8358 mL | |
| 5 mM | 0.3567 mL | 1.7836 mL | 3.5672 mL | |
| 10 mM | 0.1784 mL | 0.8918 mL | 1.7836 mL |