| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Not applicable; Hydrocinnamic acid-d9 is a stable isotope-labeled internal standard for analytical quantification and is not intended as a pharmacologically active drug targeting specific biological receptors. The unlabeled parent compound, hydrocinnamic acid (3-phenylpropionic acid), is the major rhizospheric compound with known growth regulatory activities in plants. However, the deuterated version is used solely as an internal standard in mass spectrometry and not as a probe for biological activity. Its utility lies in providing a distinct mass shift (M+9) that enables precise quantification of unlabeled hydrocinnamic acid in biological and environmental samples.
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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].
Hydrocinnamic acid-d9 is intended for use as an internal standard and does not directly exert pharmacological effects in vitro. The unlabeled hydrocinnamic acid (3-phenylpropionic acid) has been reported to have plant growth regulatory activities and is a major rhizospheric compound. However, as an analytical reference standard, Hydrocinnamic acid-d9 is not used for testing biological activity in cell-free systems. Instead, it is used to calibrate mass spectrometers and validate analytical methods for quantifying hydrocinnamic acid in biological samples such as plasma, urine, and tissue homogenates. |
| ln Vivo |
Hydrocinnamic acid-d9 is not intended for in vivo use as a therapeutic agent but serves as an internal standard in pharmacokinetic and metabolism studies. When unlabeled hydrocinnamic acid is administered to animals, the deuterated version can be spiked into collected biological samples (plasma, urine, tissues) to accurately quantify the concentration of the parent compound by LC-MS. This allows researchers to calculate key pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion (ADME) of hydrocinnamic acid or hydrocinnamic acid-containing drugs. The compound is not administered to animals as a test substance.
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| Enzyme Assay |
For quantitative LC-MS analysis, prepare a stock solution of Hydrocinnamic acid-d9 in methanol or acetonitrile at a concentration of 1 mg/mL. Spike a known amount (e.g., 10-100 ng/mL) into biological samples (plasma, urine, tissue homogenates) after protein precipitation or solid-phase extraction (SPE). Separate on a C18 reverse-phase column using a mobile phase of 0.1% formic acid in water and acetonitrile. Detect using negative ion electrospray ionization (ESI-) and selected reaction monitoring (SRM) transitions: for hydrocinnamic acid m/z 149 → 105; for Hydrocinnamic acid-d9 m/z 158 → 114 (mass shift of +9 due to nine deuterium atoms). Quantify by isotope dilution against a calibration curve. The perdeuterated -d9 isotopologue provides a larger mass separation (M+9), reducing the risk of cross-talk between the internal standard and analyte channels.
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| Cell Assay |
For cell-based quantification, grow cells in appropriate culture medium. At designated time points, harvest cells, wash with PBS, and extract intracellular metabolites by adding cold methanol/water (80:20 v/v). Add Hydrocinnamic acid-d9 as an internal standard at a known concentration (e.g., 50 ng/mL). Centrifuge to remove debris, filter the supernatant, and analyze by LC-MS/MS as described above. The deuterated internal standard corrects for any variability in sample preparation, extraction efficiency, matrix effects, and ion suppression, enabling accurate quantification of hydrocinnamic acid or related compounds in cellular samples. This method is essential for studying the cellular uptake and metabolism of hydrocinnamic acid-containing compounds.
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| Animal Protocol |
For in vivo pharmacokinetic studies, administer unlabeled hydrocinnamic acid or a hydrocinnamic acid-containing compound to animals (e.g., rats, mice) by oral gavage or intravenous injection at specific doses (e.g., 10-50 mg/kg). Collect blood samples at multiple time points (0, 0.5, 1, 2, 4, 6, 8, 12, 24 h) into heparinized or EDTA-coated tubes. Centrifuge to obtain plasma. Add Hydrocinnamic acid-d9 internal standard (e.g., 50-100 ng/mL) to each plasma sample. Precipitate proteins with acetonitrile, centrifuge, and analyze the supernatant by LC-MS/MS. Calculate pharmacokinetic parameters (Cmax, Tmax, AUC, half-life, clearance, bioavailability) using non-compartmental analysis. The deuterated internal standard ensures accurate quantification by correcting for matrix effects.
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| ADME/Pharmacokinetics |
Hydrocinnamic acid-d9: Molecular formula C₉HD₉O2 (or C₉H10O2 with 9 deuteriums). Molecular weight: 159.23 g/mol (unlabeled hydrocinnamic acid 150.17). Appearance: White to off-white crystalline powder. Solubility: Soluble in DMSO, ethanol, methanol, and other organic solvents. Storage: Store powder at -20degC, sealed, protected from light and moisture. In solution, store at -80degC for up to 6 months; at -20degC for up to 1 month. Purity: ≥98% by HPLC; isotopic enrichment: 98 atom% D or 99 atom% D. Shipping: Room temperature or with blue ice.
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| Toxicity/Toxicokinetics |
Hydrocinnamic acid-d9 has low toxicity at typical analytical working concentrations (ng/mL to ug/mL). The unlabeled parent compound, hydrocinnamic acid (3-phenylpropionic acid), is a natural plant-derived compound with low acute toxicity. Standard laboratory safety precautions should be followed when handling the pure compound: wear appropriate personal protective equipment (lab coat, gloves, safety glasses), avoid inhalation of powder and contact with skin/eyes, wash hands thoroughly after handling. Use in a well-ventilated area. The compound is intended for research use only, not for human therapeutic use. Always consult the Safety Data Sheet (SDS) for detailed safety information before use.
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| References |
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| Additional Infomation |
Hydrocinnamic acid-d9 is a perdeuterated internal standard for quantitative LC-MS analysis. Its primary utility lies in stable isotope dilution assays where it corrects for matrix effects, extraction variability, and ionization fluctuations. Substituting an unlabeled hydrocinnamic acid standard for Hydrocinnamic acid-d9 forfeits the ability to co-elute with the analyte and correct for matrix effects, a cornerstone of LC-MS method validation. Alternative deuterated forms such as hydrocinnamic acid-d5 (M+5) or hydrocinnamic acid-a,a-d2 (M+2) exhibit different mass shifts and may be subject to greater isotopic interference from the analyte's natural isotopologue distribution. The perdeuterated -d9 isotopologue provides a larger mass separation (M+9), reducing the risk of cross-talk between the internal standard and analyte channels and enabling more robust quantification in complex biological matrices. For research use only. Not for human use.
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| Molecular Formula |
C9HD9O2
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|---|---|
| Molecular Weight |
159.23
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| Exact Mass |
159.125
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| CAS # |
93131-15-8
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| Related CAS # |
Hydrocinnamic acid;501-52-0
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| PubChem CID |
12216216
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| Appearance |
White to off-white solid powder
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| Boiling Point |
280ºC(lit.)
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| Melting Point |
47-49ºC(lit.)
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| Flash Point |
113ºC
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| LogP |
1.703
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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 |
3
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| Heavy Atom Count |
11
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| Complexity |
126
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C(=O)O)[2H])[2H]
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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 | 6.2802 mL | 31.4011 mL | 62.8022 mL | |
| 5 mM | 1.2560 mL | 6.2802 mL | 12.5604 mL | |
| 10 mM | 0.6280 mL | 3.1401 mL | 6.2802 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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