| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 does not have a specific biological target in the traditional pharmacological sense. As a phospholipid, it is a structural component of biological membranes and is incorporated into lipid bilayers where it contributes to membrane fluidity, permeability, and organization. The deuterium labeling does not alter the biological properties of the phospholipid; rather, it serves as an analytical tool for tracing and quantifying the compound in complex biological matrices. In research applications, POPC-d31 is used as an internal standard for the quantification of POPC and other phosphatidylcholines in lipidomics studies.
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| ln Vitro |
Drug compounds have been created with stable heavy isotopes of hydrogen, carbon, and other elements, mostly as quantitative tracers throughout the drug development process. Deuteration may affect the pharmacokinetics and metabolic properties of medications, which is why it is a cause for concern. [2].
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 does not exhibit pharmacological activity in vitro. Its utility lies in its physicochemical properties as a phospholipid and its function as an analytical internal standard. The compound is used to prepare liposomes and model membranes for studying lipid bilayer properties, membrane protein interactions, and drug-membrane interactions. The deuterated analog allows for the accurate quantification of POPC in biological samples by mass spectrometry, compensating for matrix effects and extraction efficiency variations. |
| ln Vivo |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 does not have in vivo pharmacological activity. It is not a therapeutic agent and is not administered to animals for pharmacological studies. Its use is limited to in vitro and ex vivo applications as a standard for lipid analysis. When used as an internal standard in pharmacokinetic or lipidomics studies, the compound is added to biological samples (e.g., plasma, tissue homogenates) during the extraction process to enable accurate quantification of endogenous POPC and related phospholipids.
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| Enzyme Assay |
Non-cellular assays for 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 typically involve its use as an internal standard in mass spectrometry-based lipid analysis. In a typical assay, biological samples (e.g., plasma, tissue homogenates, or cell lysates) are spiked with a known amount of POPC-d31. Lipids are extracted using a suitable solvent system (e.g., chloroform-methanol or methyl tert-butyl ether). The extracted lipids are then analyzed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) using selected reaction monitoring (SRM) or multiple reaction monitoring (MRM) transitions specific to the deuterated compound. The peak area ratio of the analyte (POPC) to the internal standard (POPC-d31) is used for quantification.
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| Cell Assay |
In vitro cellular assays using 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 are not conducted for pharmacological evaluation. Instead, the compound is used in cell culture experiments as a tracer for lipid uptake or metabolism studies, or as an internal standard for lipidomics analysis of cell lysates. Cells are cultured under standard conditions, and lipids are extracted from cell pellets. POPC-d31 is added during the extraction process to serve as an internal standard for the quantification of endogenous phospholipids by LC-MS/MS.
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| Animal Protocol |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 is not used in in vivo animal studies as a therapeutic or pharmacological agent. Its application in animal research is limited to its use as an internal standard for lipid analysis in samples collected from animal studies. For example, in pharmacokinetic or toxicokinetic studies, blood or tissue samples from dosed animals are spiked with POPC-d31 during lipid extraction to enable accurate quantification of phospholipids by mass spectrometry.
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| ADME/Pharmacokinetics |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 is not a drug and does not have pharmacokinetic properties. Its physical and chemical properties are more relevant: it is a deuterium-labeled phospholipid with a molecular weight of 791.27 and a molecular formula of C₄₂H₅₁D₃₁NO₈P. The compound is highly lipophilic and is soluble in organic solvents such as chloroform and methanol. It is used for the preparation of liposomes and for studying the properties of lipid bilayers.
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| Toxicity/Toxicokinetics |
Specific toxicological data for 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 are not available in standard product documentation. As a deuterated phospholipid that is structurally identical to the endogenous compound POPC, it is expected to have low toxicity at the trace concentrations used as an analytical internal standard. POPC is a naturally occurring phospholipid and a major component of biological membranes, and it is generally recognized as safe for research applications. Standard laboratory safety precautions should be observed when handling this compound.
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| References | |
| Additional Infomation |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 is a research-grade stable isotope-labeled compound intended for laboratory use only. It is not approved for clinical use as a therapeutic agent. Its CAS number is 179093-76-6. The primary applications of POPC-d31 include use as an internal standard for the quantification of POPC and related phospholipids in lipidomics studies by mass spectrometry, preparation of deuterated liposomes for biophysical studies, and investigation of lipid bilayer properties and membrane protein interactions. The compound is also known as 1-Palmitoyl(d31)-2-oleoyl-sn-glycero-3-phosphocholine.
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| Molecular Formula |
C42H82NO8P
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|---|---|
| Molecular Weight |
791.2672
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| Exact Mass |
790.772
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| CAS # |
179093-76-6
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| Related CAS # |
1-Palmitoyl-2-oleoyl-sn-glycero-3-PC;26853-31-6
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| PubChem CID |
46891719
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| Appearance |
White to off-white solid powder
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| LogP |
11.42
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
41
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| Heavy Atom Count |
52
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| Complexity |
899
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
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| InChi Key |
WTJKGGKOPKCXLL-KHCKXXADSA-N
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| InChi Code |
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1/i2D3,7D2,9D2,11D2,13D2,15D2,17D2,19D2,22D2,24D2,26D2,28D2,30D2,32D2,34D2
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| Chemical Name |
[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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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 | 1.2638 mL | 6.3190 mL | 12.6379 mL | |
| 5 mM | 0.2528 mL | 1.2638 mL | 2.5276 mL | |
| 10 mM | 0.1264 mL | 0.6319 mL | 1.2638 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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