| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
As a labeled version of Selexipag, it targets the prostacyclin (PGI2) receptor (IP receptor). Upon administration, Selexipag is hydrolyzed by carboxylesterases to its active metabolite, ACT-333679 (MRE-269), which is a potent and selective IP receptor agonist. The activation of IP receptors leads to vasodilation and inhibition of platelet aggregation.
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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].
The non-labeled parent compound, Selexipag, is a potent IP receptor agonist (EC50 = 1.3 nM for ACT-333679). As a deuterated compound, Selexipag-d7 is expected to have identical receptor binding and activation properties. The biological activity of the labeled form is presumed to be identical to the non-labeled form, serving solely as a tracer or standard. |
| ln Vivo |
The in vivo activity of Selexipag-d7 is presumed identical to that of Selexipag, but this labeled version is not typically used for efficacy studies. The parent drug Selexipag (NS-304) is used for the treatment of pulmonary arterial hypertension (PAH) by improving exercise capacity and delaying disease progression. It exerts vasodilatory and antiproliferative effects on the pulmonary vasculature.
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| Enzyme Assay |
The specific protocol for using Selexipag-d7 involves in vitro receptor binding assays where it serves as an internal standard. In a typical radioligand binding assay, the receptor source (membrane from IP-expressing cells) is incubated with a radiolabeled tracer (e.g., [3H]-iloprost) and varying concentrations of non-labeled Selexipag. A fixed, known concentration of Selexipag-d7 is spiked into the reaction buffer before extraction to correct for recovery, ionization efficiency, and matrix effects.
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| Cell Assay |
Selexipag-d7 is not used in standard cell-based activity assays due to its intended use as an analytical standard. The cell-based assays for the parent compound involve IP receptor activation. Human pulmonary artery smooth muscle cells (HPASMCs) are treated with the active metabolite MRE-269, and intracellular cAMP levels are measured via ELISA to assess receptor activation.
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| Animal Protocol |
Due to its use as an analytical standard, there are no specific in vivo protocols for Selexipag-d7 efficacy. The standard protocol for the parent Selexipag involves oral administration in a rat monocrotaline-induced pulmonary hypertension model. Doses of 0.3-10 mg/kg are administered once daily for 14-21 days. Endpoints include measurement of right ventricular systolic pressure (RVSP), right ventricular hypertrophy index (RV/LV+S), and pulmonary vascular remodeling via histology.
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| ADME/Pharmacokinetics |
Selexipag-d7 itself is not used for PK studies as the test article. The deuterium label is stable and does not change the ADME properties of the parent drug (isotope effect is minimal for this labeling level). Selexipag (parent) has a terminal half-life of approximately 6-8 hours in humans. It is highly protein bound (>99%). It undergoes extensive hepatic metabolism, primarily via CYP2C8 and to a lesser extent CYP3A4, and its active metabolite MRE-269 is excreted in both urine and feces.
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| Toxicity/Toxicokinetics |
Selexipag (parent drug) has a well-established clinical safety profile. Common adverse events include headache, diarrhea, jaw pain, nausea, myalgia, and flushing, all of which are class effects of prostacyclin agonists. These are generally dose-dependent and manageable with symptomatic treatment. Detailed toxicity for the labeled Selexipag-d7 is not applicable as it is used in minute quantities for analytical purposes.
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| References |
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| Additional Infomation |
Selexipag (Uptravi®) was approved by the US FDA in 2015 for the treatment of pulmonary arterial hypertension (PAH) to delay disease progression and reduce the risk of hospitalization. It is an orally administered IP receptor agonist. Selexipag-d7 is a labeled version used exclusively in regulated bioanalysis to support pharmacokinetic studies of Selexipag. It is stable and does not exchange deuterium for hydrogen in biological fluids, ensuring accurate quantification.
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| Molecular Formula |
C26H25D7N4O4S
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|---|---|
| Molecular Weight |
503.66
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| Exact Mass |
503.258
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| CAS # |
1265295-21-3
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| Related CAS # |
Selexipag;475086-01-2
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| PubChem CID |
87218980
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| Appearance |
White to off-white solid powder
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| LogP |
3.8
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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 |
12
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| Heavy Atom Count |
35
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| Complexity |
730
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C=CC=C1)C1C(C2=CC=CC=C2)=NC(N(CCCCOCC(=O)NS(C)(=O)=O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=CN=1
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| InChi Key |
QXWZQTURMXZVHJ-ZGBMZCDDSA-N
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| InChi Code |
InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)/i1D3,2D3,20D
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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]-N-methylsulfonylacetamide
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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 | 1.9855 mL | 9.9273 mL | 19.8547 mL | |
| 5 mM | 0.3971 mL | 1.9855 mL | 3.9709 mL | |
| 10 mM | 0.1985 mL | 0.9927 mL | 1.9855 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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