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| Targets |
16:0 Monomethyl PE is a transient intermediate in the PEMT pathway. Its "target" is the enzyme Phosphatidylethanolamine N-methyltransferase (PEMT), which accepts this lipid as a substrate for the second methylation step to form dimethyl PE. In research, it is used to study the kinetics and substrate specificity of PEMT in vitro and in vivo. As a synthetic lipid, it is also used to investigate how the progressive methylation of the headgroup affects the biophysical properties of lipid bilayers (e.g., membrane fluidity, curvature, and hydration). It does not target a specific receptor but is an integral part of the metabolic pathway.
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| ln Vitro |
In vitro, 16:0 Monomethyl PE is used as a substrate in enzymatic assays for PEMT. In this cell-free system, the lipid (0.1-1 mM in liposomes) is incubated with recombinant human PEMT protein and the methyl donor S-adenosylmethionine (SAM). Activity is measured by detecting the product (16:0 Dimethyl PE) by thin-layer chromatography (TLC) or mass spectrometry. In cell-based studies, it is incorporated into the membrane of hepatocytes (via liposomes) to study how alterations in lipid headgroup composition affect signaling or induce ER stress. It is also used as a standard for lipidomics.
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| ln Vivo |
In vivo, 16:0 Monomethyl PE is not used as a drug. It is an endogenous lipid intermediate. However, using stable isotope-labeled versions, it can be infused into animal models (e.g., intravenously) to trace the flux of the PEMT pathway. By measuring the conversion of labeled 16:0 Monomethyl PE to labeled PC in the liver, researchers can quantify the in vivo activity of PEMT under different physiological or pathological conditions (e.g., high-fat diet, NAFLD). It serves as a metabolic tracer.
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| Enzyme Assay |
General protocol for in vitro enzyme/receptor binding (non-cellular): For PEMT activity assay, prepare liposomes containing 16:0 Monomethyl PE (1 mM) and POPC (1 mM) in 50 mM HEPES (pH 7.5). Incubate 50 uL of liposomes with 2 ug of recombinant human PEMT and 100 uM S-adenosyl-L-methionine (SAM) in a final volume of 200 uL. Incubate at 37degC for 30 min. Stop the reaction with chloroform:methanol (2:1). Extract lipids, separate by TLC (chloroform:methanol:water, 65:25:4), and visualize with molybdenum blue spray or phosphor imaging if using 14C-labeled SAM. Quantify the band corresponding to Dimethyl PE or PC.
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| Cell Assay |
General protocol for in vitro cell-based experiments: Culture primary mouse hepatocytes in DMEM + 10% FBS. Complex 16:0 Monomethyl PE (50 uM) with fatty-acid free BSA (1:1 molar ratio) or cyclodextrin. Add the complex to cells for 6-12 h. Harvest cells, extract lipids, and analyze by LC-MS. Quantify the accumulation of the lipid and its conversion to dimethyl PE and PC. This helps measure cellular PEMT activity in the presence of exogenous substrate. Also, measure markers of ER stress (BIP, CHOP by Western blot) to assess the impact of altered membrane composition.
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| Animal Protocol |
General protocol for in vivo animal experiments: For a metabolic flux study, use 8-week old C57BL/6J mice. Prepare lipid micelles containing 16:0 Monomethyl PE (labeled with 13C on the methyl group) in PBS. Inject 200 uL (1 mg lipid) via the tail vein. Sacrifice mice at 15 min, 30 min, 1 h, and 2 h post-injection. Harvest liver, snap-freeze, extract lipids, and analyze by LC-MS. Measure the ratio of labeled product (PC) to labeled substrate (Methyl PE) to determine the hepatic conversion rate. The half-life of the lipid in plasma is extremely short (<2 min).
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: 16:0 Monomethyl PE is a phospholipid with high lipophilicity. It is insoluble in water and must be formulated with cyclodextrin or BSA for in vivo administration. After IV injection, it is rapidly cleared from plasma by the liver (t1/2 < 2 min). It is metabolized via the PEMT pathway. It is stable in plasma (does not undergo chemical hydrolysis). For storage, it is supplied as a lyophilized powder or in chloroform and should be stored at -20degC under inert gas to prevent oxidation.
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| Toxicity/Toxicokinetics |
General toxicity profile: 16:0 Monomethyl PE is an endogenous metabolite and is considered low toxicity. At the concentrations used in vitro (up to 100 uM), it is not cytotoxic to hepatocytes. In acute in vivo studies, doses up to 5 mg/kg are generally well tolerated. However, as a membrane-active lipid, high doses could potentially disrupt membrane integrity. It is not a controlled substance. Standard laboratory safety precautions (gloves, lab coat) are sufficient.
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| Additional Infomation |
16:0 Monomethyl PE is also known as N-methyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine. Its molecular formula is C38H76NO8P, and its molecular weight is 705.98. It is a white powder. It is used as a research standard in lipid metabolism studies. The PEMT pathway accounts for up to 30% of PC synthesis in the liver. Alterations in this pathway are linked to NAFLD progression. This lipid is for research use only.
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| Molecular Formula |
C38H76NO8P
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| Molecular Weight |
705.99
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| Exact Mass |
705.531
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| CAS # |
3930-13-0
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| PubChem CID |
9547031
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
40
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| Heavy Atom Count |
48
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| Complexity |
769
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC
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| InChi Key |
QSBINWBNXWAVAK-PSXMRANNSA-N
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| InChi Code |
InChI=1S/C38H76NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)/t36-/m1/s1
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| Chemical Name |
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
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| Synonyms |
1,2-NMeDPPE
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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 | 1.4165 mL | 7.0823 mL | 14.1645 mL | |
| 5 mM | 0.2833 mL | 1.4165 mL | 2.8329 mL | |
| 10 mM | 0.1416 mL | 0.7082 mL | 1.4165 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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