| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Deshydroxyethoxy Ticagrelor-d7 targets the P2Y12 receptor, similar to its parent compound Ticagrelor and its active metabolite AR-C 124910XX. The P2Y12 receptor is a key mediator of platelet aggregation. By inhibiting this receptor, the compound prevents platelet activation and aggregation, reducing the risk of thrombotic events.
|
|---|---|
| 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, Deshydroxyethoxy Ticagrelor-d7 is used as an internal standard for the quantification of AR-C 124910XX. The compound does not exhibit intrinsic pharmacological activity beyond that of AR-C 124910XX but serves as a quantitative tool for studying P2Y12 receptor inhibition and drug metabolism in cell-based systems. |
| ln Vivo |
In vivo, Deshydroxyethoxy Ticagrelor-d7 is used in pharmacokinetic and pharmacodynamic studies to trace the distribution and metabolism of AR-C 124910XX in animal models. The deuterium label allows for precise quantification of the active metabolite and its metabolites in plasma and tissues using mass spectrometry. The compound is used in cardiovascular research.
|
| Enzyme Assay |
As an internal standard, Deshydroxyethoxy Ticagrelor-d7 is used in analytical assays such as LC-MS/MS. Typical protocols involve spiking the labeled compound into biological samples prior to extraction and analysis. The labeled compound co-elutes with the unlabeled AR-C 124910XX but is detected at a different mass-to-charge ratio, allowing for precise quantification and correction for matrix effects.
|
| Cell Assay |
In vitro cell-based experiments using Deshydroxyethoxy Ticagrelor-d7 involve treating platelets or other cell types with the compound and analyzing its uptake and metabolism by mass spectrometry. The compound can be used to study P2Y12 receptor inhibition and the pharmacokinetics of Ticagrelor's active metabolite.
|
| Animal Protocol |
In vivo animal studies using Deshydroxyethoxy Ticagrelor-d7 involve administering the compound to rodents via oral gavage. Blood samples are collected at various time points, and the concentration of the labeled compound is measured by mass spectrometry. Tissue distribution and metabolic profiling can also be performed.
|
| ADME/Pharmacokinetics |
Deshydroxyethoxy Ticagrelor-d7 exhibits pharmacokinetic properties similar to those of unlabeled AR-C 124910XX. As the active metabolite of Ticagrelor, it is formed in vivo and has good bioavailability. It is metabolized in the liver and excreted primarily in urine and feces.
|
| Toxicity/Toxicokinetics |
Deshydroxyethoxy Ticagrelor-d7 is considered safe for research use at typical concentrations. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
|
| References | |
| Additional Infomation |
Deshydroxyethoxy Ticagrelor-d7 has a molecular formula of C21H17D7F2N6O3S and a molecular weight of 485.56. It is the deuterium-labeled form of AR-C 124910XX, the active metabolite of Ticagrelor. The compound is intended for use as an internal standard for the quantification of AR-C 124910XX by GC- or LC-MS. It is used in cardiovascular research and drug metabolism studies.
|
| Exact Mass |
485.204
|
|---|---|
| CAS # |
2734919-83-4
|
| PubChem CID |
76974349
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
33
|
| Complexity |
688
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
|
| InChi Key |
XYLIQTKEYHWYGG-KBABNUDRSA-N
|
| InChi Code |
InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1/i1D3,2D2,5D2
|
| Chemical Name |
(1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol
|
| HS Tariff Code |
2934.99.9001
|
| 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
|
|---|---|
| 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.) |
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
