| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Targets GPR84 with high selectivity. It acts as a competitive antagonist, blocking receptor activation by endogenous ligands such as medium-chain fatty acids (MCFAs) and thereby inhibiting downstream GPCR signaling pathways.
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| ln Vitro |
In vitro studies demonstrate that GPR84 antagonist 1 exhibits high binding affinity to human GPR84 in radioligand binding assays. It selectively inhibits GPR84-mediated calcium mobilization and chemotaxis of neutrophils and macrophages, with no significant activity against other GPCRs at concentrations up to 10 microM.
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| ln Vivo |
In vivo efficacy has been demonstrated in inflammatory disease models. Oral administration of GPR84 antagonist 1 reduces neutrophil infiltration and tissue damage in models of colitis and pulmonary inflammation. It blocks GPR84-dependent immune cell recruitment, leading to attenuated disease severity without affecting basal immune functions.
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| Enzyme Assay |
Standard in vitro radioligand binding assays using human GPR84-expressing cell membranes. Membranes (10 microg/well) are incubated with varying concentrations of the antagonist (0.1 nM-10 microM) and a fixed concentration of [3H]-labeled tracer for 60 min at room temperature. Bound radioactivity is separated by filtration and measured by scintillation counting.
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| Cell Assay |
Functional antagonism is assessed in HEK293 cells stably expressing human GPR84. Cells are loaded with calcium-sensitive dye (Fluo-4 AM) for 30 min, then pretreated with antagonist for 15 min before stimulation with a selective GPR84 agonist (e.g., 3-OH C10:0). Calcium flux is measured using a fluorescence plate reader to determine IC50 values.
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| Animal Protocol |
In a mouse acute peritonitis model, the compound is administered orally or intraperitoneally 1 h before zymosan injection. Peritoneal lavage is collected 4 h post-induction, and neutrophil counts are measured by flow cytometry. In chronic colitis models, mice receive daily oral doses for 7-14 days with clinical scoring and histological analysis.
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| ADME/Pharmacokinetics |
Oral bioavailability is expected to be moderate to good for this antagonist, given its chemical properties as a small molecule. Detailed pharmacokinetic parameters such as half-life, clearance, and volume of distribution for GPR84 antagonist 1 are not publicly available but are typical for research-stage GPCR antagonists.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for this research compound. Standard safety evaluations would be required for therapeutic development. Based on its high selectivity for GPR84, it is expected to have an improved safety profile compared to less selective compounds.
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| References | |
| Additional Infomation |
GPR84 antagonist 1 is a research-grade chemical tool, not intended for human therapeutic use. It is particularly useful for studying GPR84-mediated chemotaxis and inflammatory signaling pathways. This compound is still in the preclinical research phase and has not been approved for clinical use.
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| Molecular Formula |
C26H22N4O2
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|---|---|
| Molecular Weight |
422.478485584259
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| Exact Mass |
422.174
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| CAS # |
2762180-28-7
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| PubChem CID |
163321284
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.5
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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 |
32
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| Complexity |
576
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C=C1)C2=C(N=NC(=N2)CC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)OC
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| InChi Key |
LMEQXULLLIXQFQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H22N4O2/c1-31-20-11-7-17(8-12-20)25-26(18-9-13-21(32-2)14-10-18)30-29-24(28-25)15-19-16-27-23-6-4-3-5-22(19)23/h3-14,16,27H,15H2,1-2H3
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| Chemical Name |
3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-1H-indole
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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 (118.35 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3670 mL | 11.8349 mL | 23.6698 mL | |
| 5 mM | 0.4734 mL | 2.3670 mL | 4.7340 mL | |
| 10 mM | 0.2367 mL | 1.1835 mL | 2.3670 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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