| Size | Price | Stock | Qty |
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| 1mg |
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| 2mg |
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| 5mg |
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| Other Sizes |
| Targets |
Canagliflozin D4 targets the same sodium-glucose cotransporter 2 (SGLT2) as Canagliflozin. Canagliflozin is an inhibitor of SGLT2 with an IC50 of 2.2 nM, and less potently blocks SGLT1 with an IC50 of 910 nM. SGLT2 is responsible for the majority of glucose reabsorption in the proximal tubule of the kidney. Inhibition of SGLT2 reduces glucose reabsorption and increases urinary glucose excretion, leading to improved glycemic control. The deuterium labeling does not significantly alter target binding.
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| ln Vitro |
In vitro studies with Canagliflozin D4 primarily focus on its use as an analytical internal standard rather than its pharmacological activity. The compound is used in LC-MS/MS methods for the quantification of Canagliflozin in biological matrices. The deuterium labeling provides a mass shift that allows differentiation from the unlabeled compound, enabling accurate quantification. The compound's in vitro activity at SGLT2 is expected to be similar to that of unlabeled Canagliflozin.
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| ln Vivo |
In vivo studies using Canagliflozin D4 are primarily pharmacokinetic, where the compound serves as an internal standard for the quantification of Canagliflozin in biological samples. The deuterium-labeled compound can be co-administered with unlabeled Canagliflozin to study absorption, distribution, metabolism, and excretion. It has been used in bioequivalence studies and method validation for regulatory submissions. Its in vivo pharmacological effects are expected to be similar to those of Canagliflozin, an SGLT2 inhibitor used for the treatment of type 2 diabetes.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Canagliflozin D4 are typically performed as part of analytical method validation rather than pharmacological characterization. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Canagliflozin. SGLT2 inhibition assays can be performed using recombinant SGLT2 and radiolabeled glucose or methyl-α-D-glucopyranoside uptake, but the deuterated compound is primarily used for analytical purposes. The compound is dissolved in appropriate solvents and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Canagliflozin to Canagliflozin D4 against the concentration of Canagliflozin.
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| Cell Assay |
For in vitro cell-based assays, Canagliflozin D4 can be used in studies investigating Canagliflozin's cellular effects. Cells expressing SGLT2 are cultured in appropriate media and treated with the compound. Glucose uptake is measured using radiolabeled glucose analogs. However, the compound's primary use is as an analytical internal standard. Cell viability is assessed by MTT or CCK-8 assays.
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| Animal Protocol |
In vivo animal studies with Canagliflozin D4 are primarily pharmacokinetic. The compound is administered orally to rodents at doses determined from pharmacokinetic studies, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Canagliflozin are analyzed by LC-MS/MS using Canagliflozin D4 as the internal standard. For pharmacodynamic studies, the compound's effects on blood glucose and urinary glucose excretion can be evaluated in appropriate animal models. The deuterium labeling may affect the compound's metabolic stability, potentially altering its pharmacokinetic profile.
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| ADME/Pharmacokinetics |
Canagliflozin D4 has a molecular weight of 448.55 g/mol and molecular formula C24H21D4FO5S. The compound is a deuterium-labeled analog of Canagliflozin. Chemical name: (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol-d4. Pharmacokinetic properties are expected to be similar to Canagliflozin. Canagliflozin D4 is used in very small quantities as an analytical internal standard.
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| Toxicity/Toxicokinetics |
As a deuterium-labeled analogue of an approved drug, Canagliflozin D4 is expected to have a similar toxicity profile to Canagliflozin, though toxicity studies are typically not performed on the labeled compound due to its use as an analytical standard. Canagliflozin has side effects including urinary tract infections, genital infections, and hypotension. Canagliflozin D4 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling.
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| References | |
| Additional Infomation |
Canagliflozin D4 is a deuterium-labeled form of Canagliflozin, a medication used for the treatment of type 2 diabetes. It has a molecular weight of 448.55 g/mol and molecular formula C24H21D4FO5S. The compound is intended for use as an internal standard for the quantification of Canagliflozin by GC- or LC-MS. Canagliflozin is an inhibitor of sodium-glucose cotransporter 2 (SGLT2) with an IC50 of 2.2 nM. Canagliflozin D4 is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C24H25FO5S
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|---|---|
| Molecular Weight |
448.540356397629
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| Exact Mass |
448.165
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| CAS # |
1997338-61-0
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| Related CAS # |
Canagliflozin;842133-18-0
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| PubChem CID |
131708935
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
31
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| Complexity |
574
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| Defined Atom Stereocenter Count |
5
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| SMILES |
[2H]C1=C(C(=C(C(=C1C2=CC=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)[2H])[2H])F)[2H]
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| InChi Key |
XTNGUQKDFGDXSJ-OQRSEGJPSA-N
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| InChi Code |
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1/i4D,5D,6D,7D
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| Chemical Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[[5-(2,3,5,6-tetradeuterio-4-fluorophenyl)thiophen-2-yl]methyl]phenyl]oxane-3,4,5-triol
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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 | 2.2295 mL | 11.1473 mL | 22.2946 mL | |
| 5 mM | 0.4459 mL | 2.2295 mL | 4.4589 mL | |
| 10 mM | 0.2229 mL | 1.1147 mL | 2.2295 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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