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| Targets |
DG-041 targets the prostaglandin E2 (PGE2) receptor subtype EP3, a G-protein-coupled receptor. By antagonizing the EP3 receptor, it inhibits PGE2 facilitation of platelet aggregation. It is a less potent antagonist of the DP1 (IC50=131 nM), EP1 (IC50=486 nM), and TP receptors (IC50=742 nM).
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| ln Vitro |
TP pins (IC50=742 nM), EP1 (IC50=486 nM), and DP1 (IC50=131 nM) make up DG-041[1].
In vitro, DG-041 is a potent and selective EP3 receptor antagonist. It inhibits PGE2 facilitation of platelet aggregation in vitro and ex vivo. It displays good plasma and metabolic stability. DG-041 was a less potent antagonist of the DP1 (IC50=131 nM), EP1 (IC50=486 nM), and TP receptors (IC50=742 nM). |
| ln Vivo |
DG-041, administered intravenously at 1.78 mg/kg or bucally at 9.62 mg/kg, had a t1/2 of 2.7 hours and a Cmax of 2.74 μM and 9.46 μM, respectively. 1250 mL/h/kg is the intravenous injection CL [
In vivo, DG-041 inhibits PGE2 facilitation of platelet aggregation. It crosses the blood-brain barrier, suggesting potential central nervous system effects. Its activity has been studied in various preclinical models. |
| Enzyme Assay |
In vitro receptor binding assays for DG-041 typically use membrane preparations from cells expressing the EP3 receptor. Radiolabeled PGE2 is displaced by increasing concentrations of the compound to determine binding affinity (Ki). Functional assays, such as FLIPR calcium mobilization assays, measure the compound's ability to inhibit EP3 receptor-mediated signaling. DG-041 has an IC50 of 4.6 nM in binding assays and 8.1 nM in FLIPR assays.
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| Cell Assay |
Cell-based functional assays for DG-041 involve measuring its ability to inhibit EP3 receptor-mediated calcium mobilization or other signaling pathways. Cells expressing the EP3 receptor are treated with the compound and stimulated with a PGE2 agonist. Inhibition of signaling is quantified. IC50 values are calculated from dose-response curves.
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| Animal Protocol |
Animal/Disease Models: Male Sprague Dawley rat [1]
Doses: 1.78 mg/kg (intravenous) or 9.62 mg/kg (oral) Route of Administration: intravenous (iv) (iv)or oral Experimental Results: t1/2 is 2.7 hrs (hrs (hours)), 4.06 hrs (hrs (hours)) and Cmax is 9.46 1]. intravenous (iv) (iv)injection and oral administration are μM and 2.74 μM respectively. In vivo animal studies for DG-041 typically involve administration to animal models to study platelet aggregation, thrombosis, and other EP3-mediated processes. The compound's ability to inhibit platelet aggregation and its pharmacokinetic properties are assessed. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of DG-041 include good plasma and metabolic stability. It crosses the blood-brain barrier. DG-041 (1.78 mg/kg for intravenous or 9.62 mg/kg for oral) has t1/2 of 2.7 hours, 4.06 hours and Cmax of 9.46 μM, 2.74 μM for intravenous and oral administration, respectively. DG-041 has CL of 1250 mL/h/kg for intravenous. The compound has a molecular weight of 592.32.
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| Toxicity/Toxicokinetics |
The toxicological profile of DG-041 has been evaluated in preclinical studies. The compound is generally well-tolerated. Its safety profile is consistent with other EP3 receptor antagonists.
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| References |
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| Additional Infomation |
DG-041 is a potent, high-affinity, and selective EP3 receptor antagonist. It inhibits PGE2 facilitation of platelet aggregation. It is a valuable research tool for studying the role of the EP3 receptor in platelet function, inflammation, and other physiological processes. It is not approved for clinical use.
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| Molecular Formula |
C23H15CL4FN2O3S2
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| Molecular Weight |
592.3
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| Exact Mass |
589.926
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| CAS # |
861238-35-9
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| PubChem CID |
11296282
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
9.251
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
908
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CN(C2=C(C=C(C=C12)F)/C=C/C(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl
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| InChi Key |
BFBTVZNKWXWKNZ-HWKANZROSA-N
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| InChi Code |
InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
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| Chemical Name |
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide
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| Synonyms |
DG041; DG 041; DG-041
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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 : ~250 mg/mL (~422.07 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.51 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6883 mL | 8.4417 mL | 16.8833 mL | |
| 5 mM | 0.3377 mL | 1.6883 mL | 3.3767 mL | |
| 10 mM | 0.1688 mL | 0.8442 mL | 1.6883 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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