| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Angiotensin II receptor (AT1 subtype).
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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].
Although this compound is a labeled version, its pharmacological action mirrors that of Candesartan. Candesartan is a potent angiotensin II receptor antagonist, exhibiting an IC50 of 0.26 nM for the AT1 receptor, blocking the vasoconstrictor and aldosterone-secreting effects of angiotensin II. |
| Enzyme Assay |
Receptor binding affinity is measured using a radioligand competition assay. Membranes from Chinese hamster ovary (CHO) cells expressing the rat AT1 receptor are incubated with 125I-[Sar1, Ile8]-angiotensin II and varying concentrations of Candesartan-d5. The Ki is calculated from the displacement curves.
|
| Cell Assay |
The biological activity is identical to that of Candesartan. CHO-AT1 cells are pre-incubated with Candesartan-d5 for 30 minutes prior to stimulation with 10 nM angiotensin II. The inhibition of angiotensin II-induced intracellular calcium release is measured using a fluorescent calcium indicator.
|
| Animal Protocol |
In an in vivo setting, the compound is used for PK studies. Sprague-Dawley rats are dosed orally with Candesartan cilexetil (the oral prodrug) while Candesartan-d5 is added as a tracer for LC-MS/MS analysis of serum samples collected at various time points.
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| ADME/Pharmacokinetics |
Candesartan-d5 serves as an analytical standard and is not administered as a therapeutic agent. The PK profile of the parent drug, Candesartan, is characterized by low oral bioavailability (approx. 15%) and a long terminal half-life (approx. 9 hours) in humans.
|
| Toxicity/Toxicokinetics |
As an analytical standard, there is no direct toxicity data for this deuterated compound. The parent molecule, Candesartan, is well-tolerated in clinical practice, with common adverse effects including headache, dizziness, and upper respiratory tract infection.
|
| References |
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| Additional Infomation |
This stable isotope-labeled compound is used exclusively as an internal standard in research and development. It is not for diagnostic or therapeutic use. The molecular formula is C24H15D5N6O3, with a molecular weight of 445.48. It is a key tool in regulatory bioanalysis.
|
| Molecular Formula |
C24H15D5N6O3
|
|---|---|
| Molecular Weight |
445.48
|
| Exact Mass |
445.191
|
| CAS # |
1189650-58-5
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| Related CAS # |
Candesartan;139481-59-7
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| PubChem CID |
45038537
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| Appearance |
Off-white to light brown solid powder
|
| LogP |
4.028
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
33
|
| Complexity |
660
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
|
| InChi Key |
HTQMVQVXFRQIKW-ZBJDZAJPSA-N
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| InChi Code |
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)/i1D3,2D2
|
| Chemical Name |
2-(1,1,2,2,2-pentadeuterioethoxy)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic 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)
|
| 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 | 2.2448 mL | 11.2238 mL | 22.4477 mL | |
| 5 mM | 0.4490 mL | 2.2448 mL | 4.4895 mL | |
| 10 mM | 0.2245 mL | 1.1224 mL | 2.2448 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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