| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
MRE-269 targets the prostacyclin (PGI2) receptor (IP receptor). It is a highly potent and selective IP receptor agonist. The activation of IP receptors leads to the relaxation of vascular smooth muscle and inhibition of platelet aggregation, which are beneficial in treating pulmonary arterial hypertension (PAH).
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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].
As the active metabolite of Selexipag, MRE-269 is a potent and selective IP receptor agonist. The deuterated version (MRE-269-d7) is presumed to have identical biological activity to the non-labeled compound, but it is exclusively used as an analytical standard rather than in efficacy studies. |
| ln Vivo |
The non-labeled parent (Selexipag, via MRE-269) is used in vivo to treat pulmonary arterial hypertension by improving exercise capacity. It exerts vasodilatory and antiproliferative effects on the pulmonary vasculature. MRE-269-d7 is not typically used for efficacy studies due to its function as an internal standard.
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| Enzyme Assay |
The specific protocol for using MRE-269-d7 is analytical. It is spiked into biological samples (plasma, tissue homogenates) at a known, fixed concentration. The samples are then processed (protein precipitation, liquid-liquid extraction, or solid-phase extraction) and analyzed by LC-MS/MS. The deuterated compound has identical retention time and extraction recovery as the non-labeled analyte but a different mass-to-charge (m/z) ratio, allowing the instrument to distinguish it and use the signal for precise quantification.
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| Cell Assay |
MRE-269-d7 is not used in cell-based assays for activity measurement. The parent compound MRE-269 is used in such assays. For the parent, human pulmonary artery smooth muscle cells (HPASMCs) are cultured and treated with MRE-269 (0.1-100 nM). Intracellular cyclic adenosine monophosphate (cAMP) levels are measured using a homogeneous time-resolved fluorescence (HTRF) or ELISA-based kit as a direct readout of IP receptor activation.
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| Animal Protocol |
There are no specific in vivo protocols for MRE-269-d7 as a test article. The standard protocol for the parent involves a monocrotaline-induced pulmonary hypertension model in rats. The active metabolite (or its prodrug Selexipag) is administered orally (0.3-10 mg/kg) or intravenously. Endpoints include reduction of right ventricular systolic pressure, improvement in cardiac output, and reduction in pulmonary vascular remodeling.
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| ADME/Pharmacokinetics |
The deuterium label in MRE-269-d7 is stable and does not alter the ADME properties of the molecule (negligible kinetic isotope effect). For the parent drug Selexipag, it is rapidly absorbed and converted to MRE-269. The terminal half-life of MRE-269 is approximately 6-8 hours in humans. It is highly protein-bound (>99%). It undergoes extensive hepatic metabolism via CYP2C8 and CYP3A4, and is excreted in urine and feces.
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| Toxicity/Toxicokinetics |
Specific toxicity data for MRE-269-d7 is not applicable, as it is only used in minute, non-toxic quantities as an analytical standard. The parent drug Selexipag has a well-established safety profile, with common side effects including headache, diarrhea, jaw pain, nausea, and flushing (prostacyclin class effects). These are generally dose-dependent and manageable. MRE-269-d7 itself is not for human consumption.
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| References |
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| Additional Infomation |
MRE-269-d7 is a derivative of the active metabolite of Selexipag (Uptravi®), which was approved by the US FDA in 2015 for the treatment of pulmonary arterial hypertension (PAH). Selexipag is an oral IP receptor agonist (prodrug) that is converted in vivo to MRE-269. MRE-269-d7 is a critical reagent used exclusively in bioanalytical laboratories for the regulated quantitative analysis of Selexipag and MRE-269 in clinical trial samples (drug development).
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| Molecular Formula |
C25H29N3O3
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|---|---|
| Molecular Weight |
419.53
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| Exact Mass |
426.264
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| CAS # |
1265295-20-2
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| Related CAS # |
MRE-269;475085-57-5
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| PubChem CID |
87219198
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| Appearance |
Light yellow to 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 |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
31
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| Complexity |
518
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C1=CN=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=N1)(C([H])(C([H])([H])[H])C([H])([H])[H])CCCCOCC(=O)O
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| InChi Key |
OJQMKCBWYCWFPU-HXAWLNHQSA-N
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| InChi Code |
InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)/i1D3,2D3,19D
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| Chemical Name |
2-[4-[(5,6-diphenylpyrazin-2-yl)-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]butoxy]acetic acid
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3836 mL | 11.9181 mL | 23.8362 mL | |
| 5 mM | 0.4767 mL | 2.3836 mL | 4.7672 mL | |
| 10 mM | 0.2384 mL | 1.1918 mL | 2.3836 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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