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| 10mg |
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| 25mg |
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| Targets |
DY-268 targets the farnesoid X receptor (FXR), a nuclear receptor that regulates the expression of genes involved in bile acid synthesis, transport, and metabolism. FXR also plays a role in lipid and glucose metabolism. As a potent antagonist, DY-268 binds to FXR and blocks its activation by endogenous bile acids. This inhibits FXR-mediated gene transcription. The compound's lack of agonistic activity ensures it does not inadvertently activate the receptor.
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| ln Vitro |
In vitro, DY-268 is a potent FXR antagonist with an IC50 of 7.5 nM. It shows no FXR agonistic activity or cytotoxicity. Its activity has been characterized in cell-based reporter assays. The compound's high potency and lack of cytotoxicity make it a valuable tool for studying FXR function.
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| ln Vivo |
In vivo, DY-268 has potential applications in studying the role of FXR in metabolic diseases, such as non-alcoholic fatty liver disease (NAFLD), cholestasis, and diabetes. As an FXR antagonist, it could modulate bile acid and lipid metabolism. However, detailed in vivo efficacy data is limited in publicly available sources.
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| Enzyme Assay |
In vitro receptor binding assays for DY-268 are performed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. FXR protein is incubated with a fluorescently labeled ligand and various concentrations of DY-268. The displacement of the fluorescent ligand by DY-268 is measured, and IC50 values are calculated. Functional assays using FXR-responsive reporter genes in cell lines confirm antagonistic activity.
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| Cell Assay |
Cellular assays for DY-268 use cell lines (e.g., HEK-293) transfected with an FXR expression plasmid and an FXR-responsive luciferase reporter gene. Cells are treated with various concentrations of DY-268 in the presence or absence of an FXR agonist (e.g., chenodeoxycholic acid). Luciferase activity is measured to assess FXR transcriptional activity. IC50 values for antagonism are calculated from dose-response curves. Cytotoxicity is assessed using MTT or ATP-lite assays.
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| Animal Protocol |
In vivo animal studies for DY-268 would utilize models of cholestasis, NAFLD, or metabolic syndrome. The compound would be administered orally. Markers of bile acid, lipid, and glucose metabolism would be measured in serum and liver tissue. Efficacy would be compared to vehicle and reference FXR modulators.
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| ADME/Pharmacokinetics |
DY-268 has a molecular weight of 560.67 g/mol and a molecular formula of C30H32N4O5S. It is a white to off-white solid powder. It is typically stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 6 months. It is soluble in DMSO (~50 mg/mL). Pharmacokinetic properties would be determined in preclinical studies.
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| Toxicity/Toxicokinetics |
Preclinical toxicity of DY-268 would be evaluated in standard toxicology studies. As an FXR antagonist, potential adverse effects may include effects on bile acid homeostasis and lipid metabolism. The compound shows no cytotoxicity in vitro. Comprehensive toxicity data is not available in public databases.
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| 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.
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| Additional Infomation |
DY-268 is a novel and potent FXR antagonist with an IC50 of 7.5 nM. It is a trisubstituted-pyrazole carboxamide-based compound. It shows no FXR agonistic activity or cytotoxicity. It is available for research purposes only.
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| Molecular Formula |
C30H32N4O5S
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|---|---|
| Molecular Weight |
560.67
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| Exact Mass |
560.209
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| CAS # |
1609564-75-1
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| Related CAS # |
1609564-75-1
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| PubChem CID |
90656831
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.638
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| LogP |
3.65
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
40
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| Complexity |
931
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)CC5=CC(=CC=C5)OC
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| InChi Key |
KQSPAAPFKIEUGH-UHFFFAOYSA-N
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| 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)
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| Chemical Name |
1-[(3-Methoxyphenyl)methyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(4-methylphenyl)-1H-pyrazole-4-carboxamide
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| Synonyms |
DY268DY 268 DY-268
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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) |
DMSO : ~50 mg/mL (~89.18 mM)
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| 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. View More
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. |
| 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 |
*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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