| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The unlabeled parent drug, Gemcitabine, targets DNA polymerases and ribonucleotide reductase. It is a nucleoside analog that is incorporated into DNA during replication, leading to chain termination and cell death. The labeled analog serves as an analytical internal standard and does not exert any pharmacological activity.
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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 cell-free assays, (2S)-Gemcitabine-13C,15N2 hydrochloride does not exhibit any biological activity of its own. The unlabeled parent drug is a potent inhibitor of DNA synthesis. The labeled standard is used to support the analysis of the unlabeled drug, allowing researchers to study its metabolism and uptake. |
| ln Vivo |
The labeled analog is not used for direct in vivo activity studies. The unlabeled parent drug, Gemcitabine, is a standard-of-care chemotherapy agent used to treat various solid tumors. The labeled internal standard is used in in vivo PK studies to quantify the concentration of the parent drug in the blood of animals or patients receiving the unlabeled drug.
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| Enzyme Assay |
A typical LC-MS/MS protocol involves spiking a known amount of the labeled internal standard into a plasma or tissue homogenate sample. The sample is processed (protein precipitation with acetonitrile/methanol) and analyzed. The signal from the internal standard is used to normalize the signal from the unlabeled Gemcitabine, correcting for any variation in sample preparation or instrument performance.
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| Cell Assay |
This compound is not used for direct cell-based experiments for its own activity. In a cellular pharmacology study, cancer cells are treated with unlabeled Gemcitabine. The cells are then lysed, and the labeled internal standard is added to the lysate to quantify how much of the unlabeled drug has been taken up by the cells or incorporated into their DNA using LC-MS/MS.
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| Animal Protocol |
In an in vivo PK study, tumor-bearing mice are administered unlabeled Gemcitabine (e.g., by IP injection). Blood samples are collected via tail vein at various time points. The labeled internal standard is added to the plasma samples. The concentration of Gemcitabine is then determined by LC-MS/MS to calculate its half-life, clearance, and distribution in the body.
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| ADME/Pharmacokinetics |
As an analytical standard, (2S)-Gemcitabine-13C,15N2 hydrochloride is not used for its own PK profile. For bioanalytical use, it is typically formulated as a stock solution in a suitable solvent (e.g., water, methanol, or DMSO) at a concentration of 1 mg/mL. Working solutions for spiking are prepared by diluting the stock with water or mobile phase.
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| Toxicity/Toxicokinetics |
Toxicity for the labeled standard is not a consideration at the trace analytical concentrations used. The unlabeled parent drug, Gemcitabine, is a potent cytotoxic agent with significant side effects, including myelosuppression (low blood counts) and hepatotoxicity. Standard safety precautions for handling cytotoxic chemotherapeutic agents must be used.
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| References | |
| Additional Infomation |
(2S)-Gemcitabine-13C,15N2 hydrochloride is an isotope-labeled internal standard (SIL-IS) for the anti-cancer agent gemcitabine. The use of a stable isotope-labeled internal standard is critical for supporting regulatory bioanalysis and for the precise determination of drug concentrations during the development of oncology drugs. This product is for research use only.
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| Molecular Formula |
C813CH12CLF2N15N2O4
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|---|---|
| Molecular Weight |
302.64
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| Exact Mass |
302.045
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| CAS # |
1262897-74-4
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| Related CAS # |
1'-epi Gemcitabine hydrochloride;122111-05-1
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| PubChem CID |
129010188
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
426
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| Defined Atom Stereocenter Count |
3
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| SMILES |
Cl.FC1([C@@H]([15N]2[13C]([15N]=C(C=C2)N)=O)O[C@H](CO)[C@H]1O)F
|
| InChi Key |
OKKDEIYWILRZIA-YUECSCTESA-N
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| InChi Code |
InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m1./s1/i8+1,13+1,14+1;
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| Chemical Name |
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one;hydrochloride
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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 | 3.3043 mL | 16.5213 mL | 33.0426 mL | |
| 5 mM | 0.6609 mL | 3.3043 mL | 6.6085 mL | |
| 10 mM | 0.3304 mL | 1.6521 mL | 3.3043 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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