| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Heptadecanoyl Coenzyme A targets enzymes involved in lipid metabolism and fatty acid oxidation. As a long-chain fatty acyl-CoA, it serves as a substrate for various enzymes including acyltransferases and β-oxidation enzymes. The compound is involved in the metabolism of fatty acids and plays a role in cellular energy production. Heptadecanoyl-CoA can be used for the research of glucose metabolism. Its role as a metabolite makes it a valuable tool for studying lipid metabolism and related diseases.
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| ln Vitro |
In vitro, Heptadecanoyl Coenzyme A is used as a substrate in enzyme assays to study fatty acid metabolism and enzyme activity. It is used to study the activity of enzymes involved in lipid metabolism, including acyltransferases and β-oxidation enzymes. The compound can be used to investigate the regulation of lipid-associated pathways. Heptadecanoyl-CoA is also used in studies of glucose metabolism. Its role as a metabolite makes it a valuable tool for studying lipid metabolism and related diseases.
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| ln Vivo |
Heptadecanoyl Coenzyme A is not used as a therapeutic agent but as a research tool for studying lipid metabolism. Its in vivo role is as a metabolite involved in fatty acid metabolism and cellular signaling. The compound is used in biochemical research to study fatty acid metabolism, enzyme activity, and the regulation of lipid-associated pathways. It is not administered to animals for therapeutic purposes but is used in the preparation of solutions for biological experiments.
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| Enzyme Assay |
In vitro enzyme assays for Heptadecanoyl Coenzyme A typically involve measuring the activity of enzymes that use fatty acyl-CoAs as substrates. The compound is dissolved in water or buffer and added to reaction mixtures containing the enzyme of interest (e.g., acyltransferase or β-oxidation enzyme). The reaction products are measured using spectrophotometric, chromatographic, or mass spectrometric methods. The compound is typically used at concentrations of 1-100 µM. The assay conditions (pH, temperature, cofactors) depend on the specific enzyme being studied.
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| Cell Assay |
In vitro cell-based assays using Heptadecanoyl Coenzyme A are performed to study its effects on lipid metabolism and cellular signaling. Cells are treated with the compound, and its effects on fatty acid oxidation, lipid synthesis, and energy production are measured. The compound's ability to modulate the activity of enzymes involved in lipid metabolism can be assessed in cell lysates. The compound's effects on gene expression related to lipid metabolism can also be studied. The compound is typically dissolved in water or buffer and added to cell culture medium.
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| Animal Protocol |
Specific in vivo animal experiment protocols for Heptadecanoyl Coenzyme A are not detailed in the available literature. As a metabolite, it is not typically administered as a drug. However, its role in lipid metabolism suggests it could be studied in animal models of metabolic diseases. The compound's levels could be measured in tissues to assess metabolic flux.
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| ADME/Pharmacokinetics |
Heptadecanoyl Coenzyme A has a molecular weight of 1019.97 g/mol and the formula C38H68N7O17P3S. The compound is soluble in water at 20 mg/mL. For storage, the compound is kept at -20°C. Its purity is typically >95%. Heptadecanoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptadecanoic acid. It has a role as a metabolite. The compound is used in biochemical research to study fatty acid metabolism.
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| Toxicity/Toxicokinetics |
Specific toxicological data for Heptadecanoyl Coenzyme A are not provided in the available sources. As a naturally occurring metabolite, it is likely to have a low toxicity profile. However, as a research chemical, it is intended for laboratory use only and is not for human consumption. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and eye protection.
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| References | |
| Additional Infomation |
Heptadecanyl-CoA is a long-chain fatty acyl-CoA formed by the condensation of the sulfhydryl group of coenzyme A with the carboxyl group of heptadecanoic acid. It is a metabolite. It is a long-chain fatty acyl-CoA and also an 11,12-saturated fatty acyl-CoA. Functionally, it is related to heptadecanoic acid. It is the conjugate acid of heptadecanyl-CoA(4-).
Heptadecanoyl Coenzyme A (CAS 3546-17-6) is a long-chain fatty acyl-CoA molecule involved in various metabolic processes, including lipid metabolism and cellular signaling. It has the molecular formula C38H68N7O17P3S and a molecular weight of 1019.97 g/mol. Heptadecanoyl-CoA is the formal condensation product of the thiol group of coenzyme A with the carboxy group of heptadecanoic acid. It has a role as a metabolite. The compound is used in biochemical research to study fatty acid metabolism, enzyme activity, and the regulation of lipid-associated pathways. It can also be used for the research of glucose metabolism. The compound is intended for research use only. |
| Molecular Formula |
C38H68N7O17P3S
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|---|---|
| Molecular Weight |
1019.96962
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| Exact Mass |
1019.36
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| CAS # |
3546-17-6
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| PubChem CID |
3082004
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| Appearance |
White to off-white solid powder
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| LogP |
5.899
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
22
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| Rotatable Bond Count |
35
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| Heavy Atom Count |
66
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| Complexity |
1640
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
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| InChi Key |
DRABUZIHHACUPI-DUPKZGIXSA-N
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| InChi Code |
InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1
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| Chemical Name |
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] heptadecanethioate
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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 | 0.9804 mL | 4.9021 mL | 9.8042 mL | |
| 5 mM | 0.1961 mL | 0.9804 mL | 1.9608 mL | |
| 10 mM | 0.0980 mL | 0.4902 mL | 0.9804 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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