| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
The molecular target is the prostacyclin (IP) receptor, a Gs-coupled receptor that stimulates adenylyl cyclase and increases intracellular cAMP; MRE-269 binds the human IP receptor with a Ki of approximately 20 nM, activating Gs-mediated cAMP accumulation and vasodilation, with superior selectivity over treprostinil and only weak partial activation of EP2/EP4 (dissociation constant approximately 5 μM).
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro, MRE-269-d6 competes with [3H]iloprost or a fluorescent prostacyclin analog for recombinant human IP receptors with a Ki of approximately 20 nM, stimulates cAMP accumulation in IP-expressing cells, and produces vasodilation in isolated pulmonary artery rings; the deuterated form retains IP agonist activity while enabling LC-MS/MS quantification in plasma and tissue. |
| ln Vivo |
In vivo, oral selexipag is rapidly hydrolyzed to MRE-269-d6, which lowers pulmonary arterial pressure and pulmonary vascular resistance in rodent models of pulmonary hypertension, inhibits platelet aggregation, and improves exercise capacity; the labeled form is used to quantify plasma and tissue concentrations of the active metabolite and to relate IP occupancy to hemodynamic and antiplatelet effects.
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| Enzyme Assay |
Noncellular binding assays incubate membrane homogenates expressing recombinant human IP receptors with [3H]iloprost or a fluorescent prostacyclin analog and increasing concentrations of MRE-269-d6; bound and free ligand are separated by filtration, and Ki values are derived, with selectivity assessed against EP2, EP4, and other prostanoid receptors.
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| Cell Assay |
Cellular assays use IP-expressing CHO or HEK293 cells treated with MRE-269-d6; intracellular cAMP accumulation is measured by enzyme immunoassay, IP receptor internalization by flow cytometry, and vasodilation in isolated pulmonary artery rings by isometric tension recording, with selectivity confirmed against EP2/EP4.
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| Animal Protocol |
Animal protocols administer selexipag or MRE-269-d6 orally to rats or mice with monocrotaline- or hypoxia-induced pulmonary hypertension at doses of 1–30 mg/kg; pulmonary arterial pressure, right ventricular hypertrophy, and platelet aggregation are measured, and plasma and lung concentrations of MRE-269 are quantified by LC-MS/MS to relate IP occupancy to hemodynamic and antiplatelet efficacy.
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| References |
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| Molecular Formula |
C25H29N3O3
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|---|---|
| Molecular Weight |
425.55
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| CAS # |
1265295-56-4
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| Related CAS # |
MRE-269;475085-57-5
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| Appearance |
Typically exists as solid at room temperature
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| SMILES |
O=C(O)COCCCCN(C1=NC(C2=CC=CC=C2)=C(C3=CC=CC=C3)N=C1)C(C([2H])([2H])[2H])C([2H])([2H])[2H]
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.3499 mL | 11.7495 mL | 23.4990 mL | |
| 5 mM | 0.4700 mL | 2.3499 mL | 4.6998 mL | |
| 10 mM | 0.2350 mL | 1.1750 mL | 2.3499 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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