| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Hexadecyl‑CoA targets adipose triglyceride lipase (ATGL), also known as patatin‑like phospholipase domain‑containing protein 2 (PNPLA2). ATGL catalyzes the initial rate‑limiting step of triglyceride (TG) hydrolysis in adipose tissue and other cell types, converting triglycerides to diglycerides and free fatty acids. ATGL plays a crucial role in lipolysis, energy homeostasis, and lipid droplet metabolism. By inhibiting ATGL, hexadecyl‑CoA blocks lipolysis, leading to the accumulation of triglycerides and a reduction in free fatty acid release. This makes it a valuable tool for studying the regulation of lipid metabolism.
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| ln Vitro |
Hexadecyl‑CoA is a thioether analog of acyl‑CoA that acts as an inhibitor of adipose triglyceride lipase (ATGL). The thioether bond (C‑S‑C) between the CoA and the hexadecyl chain is resistant to hydrolysis, making the compound a stable, non‑hydrolyzable analog. It competitively binds to the ATGL active site, blocking the enzyme‘s ability to hydrolyze triglycerides. No specific IC50 value for ATGL inhibition is reported in the search results. The compound is used as a chemical probe to study the role of ATGL in lipolysis, energy metabolism, and related signaling pathways.
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| ln Vivo |
No specific in vivo activity data for Hexadecyl‑CoA are reported. As an ATGL inhibitor, it has potential for evaluation in animal models of metabolic diseases, such as obesity, type 2 diabetes, and non‑alcoholic fatty liver disease (NAFLD). It could be used to study the effects of ATGL inhibition on lipolysis, free fatty acid levels, insulin sensitivity, and lipid accumulation in tissues. However, due to its poor cell permeability and rapid metabolism in vivo, it is primarily used in cell‑free or cell‑based assays. No specific in vivo studies are described.
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| Enzyme Assay |
The binding of Hexadecyl‑CoA to ATGL is measured by standard in vitro enzyme activity assays using purified recombinant ATGL enzyme. The compound is incubated with ATGL and a fluorescent or radiolabeled triglyceride substrate (e.g., triolein or 1,2‑dioleoyl‑sn‑glycerol). The reaction is initiated, and the release of free fatty acids is measured. The inhibition constant (Ki) is calculated. Alternatively, a fluorescent polarization assay using a labeled substrate can be used. No specific Ki or IC50 values are reported.
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| Cell Assay |
For cellular assays, adipocytes (e.g., 3T3‑L1 differentiated adipocytes) or hepatocytes (e.g., HepG2, primary mouse hepatocytes) are seeded in 6‑ or 96‑well plates. Cells are treated with Hexadecyl‑CoA (1-100 uM) for 6-24 hours. Lipolysis is assessed by measuring the release of free fatty acids and glycerol into the culture medium using colorimetric assay kits. Intracellular triglyceride levels are measured using a fluorometric triglyceride assay kit. For mechanistic studies, the activity of ATGL in cell lysates is measured using a fluorescent substrate. The compound may be delivered using lipofection or microinjection due to its poor cell permeability. No specific protocols are provided.
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| Animal Protocol |
No animal experiments for Hexadecyl‑CoA are described in the search results. For in vivo evaluation of ATGL inhibition, the compound would need to be delivered by intraperitoneal or intravenous injection, but its rapid metabolism and poor bioavailability may limit its use. It is typically used in ex vivo assays or in cell lysates. Alternative ATGL inhibitors with better pharmacokinetic properties are used for in vivo studies.
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| ADME/Pharmacokinetics |
Hexadecyl‑CoA (C37H68N7O16P3S, MW = 991.96, purity ≥98%, CAS 71425-89-3) is a solid powder. For storage, the powder should be kept at -20degC for up to 3 years, sealed and protected from light. For in vitro use, stock solutions can be prepared in DMSO or water (depending on the salt form) at concentrations of 1-10 mM. Stock solutions should be stored at -80degC for up to 6 months or at -20degC for 1 month. The compound is sensitive to moisture and should be handled under dry conditions. Hexadecyl‑CoA is typically supplied as a lithium or sodium salt for improved aqueous solubility. No PK parameters are reported.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Hexadecyl‑CoA are reported. As a research‑grade biochemical, it is not intended for human or veterinary use. Standard laboratory safety precautions for handling chemicals should be followed, including the use of gloves, lab coat, and safety goggles. CoA derivatives can have detergent‑like effects at high concentrations. No LD50 or formal toxicology studies are available.
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| References | |
| Additional Infomation |
Hexadecyl‑CoA (palmityl‑CoA, S‑cetyl‑CoA) is a thioether analog of palmitoyl‑CoA, the acyl‑CoA thioester of palmitic acid (C16:0). In contrast to natural acyl‑CoAs, which have a thioester bond (C=O‑S) that is hydrolyzable, hexadecyl‑CoA has a thioether bond (C‑S‑C) that is non‑hydrolyzable. This makes it a stable inhibitor of acyl‑CoA‑dependent enzymes. Adipose triglyceride lipase (ATGL) is a key enzyme in the first step of lipolysis, converting triglycerides to diglycerides and free fatty acids. ATGL is a target for treating obesity and metabolic disorders. Hexadecyl‑CoA is a research tool for studying ATGL biology. The compound is for research use only and has not received regulatory approval.
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| Molecular Formula |
C37H68N7O16P3S
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|---|---|
| Molecular Weight |
991.96
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| CAS # |
71425-89-3
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| Appearance |
Solid powder
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| Synonyms |
Hexadecyl CoA
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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 | 1.0081 mL | 5.0405 mL | 10.0811 mL | |
| 5 mM | 0.2016 mL | 1.0081 mL | 2.0162 mL | |
| 10 mM | 0.1008 mL | 0.5041 mL | 1.0081 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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