| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Ezetimibe-d4-1 targets the Niemann-Pick C1-like1 (NPC1L1) protein, which is involved in intestinal cholesterol absorption. By inhibiting NPC1L1, Ezetimibe reduces cholesterol uptake from the intestine. It also activates Nrf2, a transcription factor that regulates antioxidant response.
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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, Ezetimibe-d4-1 is the deuterated form of Ezetimibe, a potent cholesterol absorption inhibitor. Ezetimibe inhibits NPC1L1 and activates Nrf2. The deuterated compound is used as an internal standard for the quantification of Ezetimibe by mass spectrometry. |
| ln Vivo |
In vivo data for Ezetimibe-d4-1 are related to those of unlabeled Ezetimibe. Ezetimibe is a potent cholesterol absorption inhibitor used clinically for the treatment of hypercholesterolemia. The deuterated compound is used as an internal standard in pharmacokinetic studies.
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| Enzyme Assay |
Ezetimibe-d4-1 is used as an internal standard in analytical assays such as LC-MS/MS for the quantification of Ezetimibe. Typical protocols involve spiking the labeled compound into biological samples prior to extraction and analysis. The labeled compound co-elutes with the unlabeled Ezetimibe but is detected at a different mass-to-charge ratio.
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| Cell Assay |
In vitro cell experiments with Ezetimibe-d4-1 are limited as it is primarily used as an analytical standard. The compound can be used to study Ezetimibe's effects on cholesterol uptake and Nrf2 activation in cell-based systems.
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| Animal Protocol |
In vivo animal studies with Ezetimibe-d4-1 involve administering the compound to rodents to study the pharmacokinetics of Ezetimibe. Blood samples are collected at various time points, and the concentration of the labeled compound is measured by mass spectrometry.
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| ADME/Pharmacokinetics |
Ezetimibe-d4-1 exhibits pharmacokinetic properties similar to those of unlabeled Ezetimibe. Ezetimibe is orally bioavailable and has good tissue penetration. It is metabolized in the liver and excreted primarily in feces. The deuterium label provides a distinct mass shift for analytical detection.
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| Toxicity/Toxicokinetics |
Ezetimibe-d4-1 is considered safe for research use at typical concentrations. Ezetimibe has a well-established safety profile as an approved cholesterol-lowering drug. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
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| References |
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| Additional Infomation |
Ezetimibe-d4-1 is the deuterium-labeled form of Ezetimibe, a potent cholesterol absorption inhibitor and NPC1L1 inhibitor. It also has Nrf2 activation properties. The compound has a CAS number of 1093659-89-2 and is used as an internal standard for mass spectrometry-based quantification.
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| Molecular Formula |
C24H21F2NO3
|
|---|---|
| Molecular Weight |
409.425253629684
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| Exact Mass |
413.174
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| CAS # |
1093659-89-2
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| Related CAS # |
Ezetimibe;163222-33-1
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| PubChem CID |
25145485
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| Appearance |
White to off-white solid powder
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| LogP |
4.953
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
30
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| Complexity |
567
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| Defined Atom Stereocenter Count |
3
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| SMILES |
[2H]C1=C(C(=C(C(=C1[C@H](CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)O)[2H])[2H])F)[2H]
|
| InChi Key |
OLNTVTPDXPETLC-GMASCKFGSA-N
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| InChi Code |
InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1/i1D,2D,5D,6D
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| Chemical Name |
(3R,4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-[(3S)-3-hydroxy-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)propyl]azetidin-2-one
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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 | 2.4424 mL | 12.2121 mL | 24.4242 mL | |
| 5 mM | 0.4885 mL | 2.4424 mL | 4.8848 mL | |
| 10 mM | 0.2442 mL | 1.2212 mL | 2.4424 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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