| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Cinnamic acid targets cancer cells and has been shown to inhibit cell proliferation in various cancer cell lines. It exhibits IC50 values of 1-4.5 mM against glioblastoma, melanoma, prostate cancer, and lung cancer cells. The compound may also interact with metabolic enzymes and signaling pathways involved in cancer progression. The mechanism is thought to involve induction of apoptosis and cell cycle arrest.
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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, cinnamic acid exhibits cytotoxic activity against various cancer cell lines with IC50 values of 1-4.5 mM. It inhibits cell proliferation in glioblastoma, melanoma, prostate cancer, and lung carcinoma cells. The compound induces apoptosis and may modulate signaling pathways involved in cell survival. The deuterated form is used as an internal standard to accurately quantify cinnamic acid in biological samples. |
| ln Vivo |
In vivo, cinnamic acid has been studied for its potential anticancer effects. The compound is metabolized and distributed throughout the body. Its deuterated form is used in pharmacokinetic studies to trace the absorption, distribution, metabolism, and excretion of cinnamic acid. The compound has potential use in cancer intervention. Further in vivo studies are needed to fully characterize its pharmacological activity.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for cinnamic acid typically involve incubating the compound with target enzymes or receptors in buffered solutions. Binding affinity is measured by surface plasmon resonance or fluorescence polarization. For metabolic studies, cinnamic acid-d6 is incubated with liver microsomes or recombinant enzymes, and metabolites are analyzed by LC-MS/MS. The deuterated form serves as an internal standard to correct for matrix effects.
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| Cell Assay |
For in vitro cell assays, cancer cell lines (e.g., glioblastoma, melanoma, prostate cancer, lung cancer) are cultured in appropriate medium supplemented with 10% FBS. Cells are treated with cinnamic acid-d6 at concentrations of 0.1-10 mM for 24-72 hours. Cell viability is assessed by MTT or SRB assays. IC50 values are determined from dose-response curves. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining. Cellular uptake is analyzed by LC-MS/MS.
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| Animal Protocol |
For in vivo animal studies, cinnamic acid-d6 is administered to rodents via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg. Blood and tissue samples are collected at various time points for pharmacokinetic analysis. Plasma cinnamic acid levels are quantified by LC-MS/MS using the deuterated compound as an internal standard. Tissue distribution and metabolite identification are performed to assess the compound's pharmacokinetic profile.
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| ADME/Pharmacokinetics |
Cinnamic acid-d6 has a molecular weight of 154.20. It is soluble in DMSO (250 mg/mL). The compound is stable as a powder at -20°C for 3 years and at 4°C for 2 years, and in solvent at -80°C for 6 months. It has a melting point of 132-135°C and a logP of 1.784. The deuterium labeling provides a mass shift of +6 Da for MS detection.
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| Toxicity/Toxicokinetics |
The compound is for research use only, not for human therapeutic applications. Cinnamic acid is generally considered to have low toxicity, with an oral LD50 in rats of approximately 2.5 g/kg. The deuterated form is not expected to exhibit additional toxicity. No specific toxicity data are available for the deuterated analog. Standard safety precautions should be followed when handling.
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| References | |
| Additional Infomation |
Cinnamic acid-d6 (CAS# 91453-04-2) is a stable isotope-labeled compound used primarily as an analytical internal standard in metabolomics and pharmacokinetic studies. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used in research on cancer, metabolism, and natural product chemistry. The deuterated form enables precise quantification of cinnamic acid in complex biological matrices.
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| Molecular Formula |
C9H2D6O2
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|---|---|
| Molecular Weight |
154.20
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| Exact Mass |
154.09
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| CAS # |
91453-04-2
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| Related CAS # |
Cinnamic acid;621-82-9
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| PubChem CID |
16213747
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| Appearance |
White to off-white solid powder
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| Boiling Point |
300ºC(lit.)
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| Melting Point |
132-135ºC(lit.)
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| LogP |
1.784
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=C/C(=O)O)/[2H])[2H])[2H]
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| InChi Key |
WBYWAXJHAXSJNI-UMENIHJVSA-N
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| InChi Code |
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+/i1D,2D,3D,4D,5D,6D
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| Chemical Name |
(E)-3-deuterio-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-enoic acid
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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) |
DMSO: 250 mg/mL (1621.27 mM)
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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 | 6.4851 mL | 32.4254 mL | 64.8508 mL | |
| 5 mM | 1.2970 mL | 6.4851 mL | 12.9702 mL | |
| 10 mM | 0.6485 mL | 3.2425 mL | 6.4851 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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