| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Coenzyme A itself is a metabolic cofactor rather than a classical signaling molecule ligand. Its "targets" are primarily the enzymes that depend on it as a substrate or cofactor, particularly metabolic enzymes and acetyltransferases. For instance, in post-translational modifications, it serves as the precursor for acetyl-CoA, acting as an acetyl donor to directly regulate the activity of enzymes like N-terminal acetyltransferases (NATs), thereby affecting protein stability and function . Furthermore, pantothenate kinase (PANK) in its biosynthetic pathway is a core target for regulating intracellular CoA levels .
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| ln Vitro |
In in vitro assays, CoA primarily acts as a substrate or cofactor for enzymatic reactions. For example, in N-terminal acetyltransferase (NAT) activity assays, acetyl-CoA (Ac-CoA) donates the acetyl group to modify peptide substrates . Furthermore, researchers have developed detection methods using the fluorescent probe CPM (7-diethylamino-3-(4'-maleimidylphenyl)-4-methylcoumarin), which binds to and fluoresces with the free CoA thiol released after the enzymatic reaction, thereby quantifying enzyme activity .
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| ln Vivo |
In vivo studies indicate that CoA is a key regulator for maintaining core energy metabolism and cellular homeostasis. Research has shown that cytosolic acetyl-CoA acts as a signaling metabolite, directly binding to the mitophagy receptor NLRX1 to regulate nutrient starvation-induced mitophagy, thereby influencing cellular quality control . In disease models, such as the PKAN (pantothenate kinase-associated neurodegeneration) mouse model, CoA deficiency in the brain leads to motor dysfunction, and restoring brain CoA levels via PANK activation significantly improves symptoms .
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| Enzyme Assay |
A common non-cell assay protocol is the CPM-based fluorescence method for acetyltransferase activity. The procedure is as follows: Prepare the reaction mixture in a 96-well plate containing buffer, the enzyme of interest (e.g., NAT), substrate peptide, and acetyl-CoA (Ac-CoA). After incubation at 37°C, add a detection solution containing the CPM fluorescent dye to stop the reaction and derivatize. CPM specifically reacts with the newly generated free CoA (CoA-SH) from the enzymatic reaction, producing a fluorescent signal (Ex/Em ≈ 390/470 nm). Fluorescence intensity is read using a microplate reader to quantify enzyme activity .
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| Cell Assay |
A classic protocol for quantifying intracellular CoA levels is High-Performance Liquid Chromatography (HPLC). The steps include: Harvest cultured cells (e.g., HepG2 or HEK293T), add ice-cold 0.25 M KOH to lyse cells and adjust pH to >12 to hydrolyze all CoA thioesters to free CoA. After incubation in a 55°C water bath for 1-2 hours, add Trizma base to adjust pH to ~8.0, then add the fluorescent derivatization reagent mBBr (monobromobimane) and incubate for 2 hours at room temperature in the dark. Stop the reaction by adding acetic acid, centrifuge to remove debris, purify the supernatant using a solid-phase extraction column, and finally perform HPLC analysis .
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| Animal Protocol |
To study drugs that modulate CoA metabolism, animal models are commonly used for in vivo efficacy validation. For example, in a PKAN disease model (neuron-specific Pank1/Pank2 double knockout mice), the PANK activator BBP-671 is administered via oral gavage (once or twice daily) alongside a vehicle control group. After several weeks of continuous dosing, animals are sacrificed to collect brain tissue and plasma. CoA and related metabolite concentrations are measured using LC-MS, and motor function (e.g., rotarod test) and body weight changes are assessed .
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| ADME/Pharmacokinetics |
PK studies on CoA itself and its prodrugs indicate that specific transporters or prodrug strategies are required for cellular entry. A study on the PANK activator BBP-671 showed that this compound has good metabolic stability and membrane permeability, allowing it to cross the blood-brain barrier. Following oral administration, the drug was detected in rodent plasma, liver, cerebrospinal fluid, and brain tissue, and it significantly elevated brain CoA levels .
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| Toxicity/Toxicokinetics |
Toxicological data indicate that CoA and its related metabolites exhibit a good safety profile at experimental doses. A 15-day murine toxicity study showed that even at doses up to 250 mg/kg/day (administered orally three times daily) of 4'-phosphopantetheine (a CoA biosynthesis intermediate), no significant body weight loss or signs of neurotoxicity were observed. Histopathological examination of major organs revealed no significant abnormalities, indicating a high No Observed Adverse Effect Level (NOAEL) at the tested doses .
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| References |
| Molecular Formula |
C21H33N7O16P3S-3.3[LI+]
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|---|---|
| Molecular Weight |
785.333420000001
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| Exact Mass |
785.139
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| Elemental Analysis |
C, 32.12; H, 4.24; Li, 2.65; N, 12.49; O, 32.60; P, 11.83; S, 4.08
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| CAS # |
18439-24-2
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| Related CAS # |
85-61-0 (free acid);18439-24-2 (salt);
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| PubChem CID |
16219106
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| Appearance |
White to off-white solid powder
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| LogP |
1.012
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
21
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
51
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| Complexity |
1250
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N)N=CN=C32)O1)O)OP(=O)(O)[O-])C(C(=NCCC(=NCCS)[O-])[O-])O.[Li+].[Li+].[Li+]
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| InChi Key |
QSCBPHBAFBVXRK-HJKJOZROSA-K
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| InChi Code |
InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/t11-,14-,15-,16?,20-;;;/m1.../s1
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| Chemical Name |
trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
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| Synonyms |
EINECS 242-317-9; Coenzyme A, trilithium salt; RefChem:127397; 242-317-9;
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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 | 1.2734 mL | 6.3668 mL | 12.7335 mL | |
| 5 mM | 0.2547 mL | 1.2734 mL | 2.5467 mL | |
| 10 mM | 0.1273 mL | 0.6367 mL | 1.2734 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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