| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Histamine H2 receptor. Cimetidine-d3 is the deuterated form of Cimetidine, a potent, orally active, and reversible histamine H2 receptor antagonist (inhibitor) with a Ki of 0.6 μM. Cimetidine is also an inverse agonist.
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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].
Cimetidine, the unlabeled form, is a potent H2 receptor antagonist with a Ki of 0.6 μM. It acts as an inverse agonist at the H2 receptor. As an H2 antagonist, it competitively inhibits the binding of histamine to H2 receptors, thereby reducing gastric acid secretion. Cimetidine has also been shown to possess anti-cancer and anti-inflammatory activities. The deuterated form, Cimetidine-d3, is expected to exhibit identical pharmacological properties due to the minimal isotopic effect of deuterium substitution. |
| ln Vivo |
In vivo, Cimetidine is used clinically to reduce gastric acid secretion in the treatment of peptic ulcers and gastroesophageal reflux disease. It has also been investigated for its anti-cancer and anti-inflammatory effects. Cimetidine-d3 is used as an internal standard in pharmacokinetic studies to accurately measure the concentration of Cimetidine in biological samples.
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| Enzyme Assay |
In vitro receptor binding assays for Cimetidine are performed to evaluate its affinity for the H2 receptor. Radioligand binding studies using membrane preparations from cells or tissues expressing the H2 receptor are conducted. The compound's ability to displace a specific radiolabeled H2 ligand, such as [3H]-tiotidine, is measured to calculate its Ki value (0.6 μM). Functional assays, such as measuring the inhibition of histamine-induced cAMP accumulation in cells expressing the H2 receptor, are used to confirm its antagonist activity.
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| Cell Assay |
Cimetidine is used in cell-based assays to study its effects on H2 receptor-mediated signaling and its anti-cancer and anti-inflammatory activities. Cells expressing the H2 receptor are treated with histamine in the presence or absence of Cimetidine, and the inhibition of downstream signaling events, such as cAMP accumulation, is measured. Its anti-cancer effects are studied in cancer cell lines by assessing its ability to inhibit cell proliferation, induce apoptosis, or modulate immune responses.
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| Animal Protocol |
In vivo animal studies for Cimetidine are conducted to evaluate its effects on gastric acid secretion, ulcer healing, and its anti-cancer and anti-inflammatory activities. The compound is typically administered orally or via intraperitoneal injection. Its effects on gastric acid secretion are assessed in models of stimulated acid secretion. Its anti-cancer activity is evaluated in tumor xenograft models. Cimetidine-d3 is used as an internal standard in these studies for pharmacokinetic analysis.
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| ADME/Pharmacokinetics |
Cimetidine-d3 is used as an internal standard for the quantification of cimetidine in biological matrices using mass spectrometry. As a deuterated compound, it exhibits practically identical chemical properties to unlabeled Cimetidine, making it an ideal internal standard. Its use improves the accuracy and precision of analytical methods by correcting for variations in sample preparation, injection volume, and ionization efficiency. The compound is stable under recommended storage conditions (Powder -20°C for 3 years).
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| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available for Cimetidine-d3. As a deuterated form of Cimetidine, its toxicity profile is expected to be similar to that of unlabeled Cimetidine. Cimetidine is generally well-tolerated, but common side effects include diarrhea, dizziness, rash, and headache. Rare but serious side effects include gynecomastia, impotence, and confusion, particularly in elderly patients or those with renal impairment.
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| References |
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| Additional Infomation |
Cimetidine-d3 (SKF-92334-d3) is the deuterium-labeled form of Cimetidine, a potent, orally active, and reversible histamine H2 receptor antagonist (inhibitor) with a Ki of 0.6 μM. Cimetidine is also an inverse agonist and has been shown to possess anti-cancer and anti-inflammatory activities. Cimetidine-d3 is used as an internal standard for the quantification of cimetidine in biological samples by mass spectrometry. It is not intended for human therapeutic use and is strictly for research purposes.
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| Molecular Formula |
C10H13D3N6S
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| Molecular Weight |
255.36
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| Exact Mass |
255.134
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| CAS # |
1185237-29-9
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| Related CAS # |
Cimetidine;51481-61-9
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| PubChem CID |
136257836
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
488.0±55.0 °C at 760 mmHg
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| Flash Point |
248.9±31.5 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.632
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| LogP |
0.26
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
17
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| Complexity |
296
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(CCN/C(=N/C([2H])([2H])[2H])/NC#N)CC1=C(C)NC=N1
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| InChi Key |
AQIXAKUUQRKLND-BMSJAHLVSA-N
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| InChi Code |
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3
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| Chemical Name |
1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine
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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 | 3.9160 mL | 19.5802 mL | 39.1604 mL | |
| 5 mM | 0.7832 mL | 3.9160 mL | 7.8321 mL | |
| 10 mM | 0.3916 mL | 1.9580 mL | 3.9160 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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