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Pantethine

Alias: Lipodel; LBF disulfide; Pantethine
Cat No.:V26131 Purity: ≥98%
Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production/synthesis of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Pantethine
Pantethine Chemical Structure CAS No.: 16816-67-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500mg
Official Supplier of:
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Product Description
Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production/synthesis of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Pantethine (CAS#: 16816-67-4) is the stable disulfide dimer form of pantetheine, a natural compound synthesized in the body from pantothenic acid (vitamin B5) through the addition of cysteine. It is considered the more biologically active form of vitamin B5, though it is less stable and decomposes over time if not refrigerated. Pantethine is a nutritional supplement used to lower cholesterol and triglycerides, and it serves as an intermediate and major precursor of coenzyme A (CoA). It exhibits anti-tumor, anti-inflammatory, anti-SARS-CoV virus, and neuroprotective activities, making it a subject of research for Alzheimer's disease, Parkinson's disease, major depression, systemic sclerosis, and pantothenate kinase-related neurodegeneration.
Biological Activity I Assay Protocols (From Reference)
Targets
Pantethine functions as a precursor to coenzyme A (CoA), a critical cofactor in numerous metabolic pathways including fatty acid oxidation, the citric acid cycle, and acetylcholine synthesis. By increasing intracellular CoA levels, it enhances these metabolic processes. Additionally, pantethine has been shown to inhibit cholesterol and fatty acid synthesis in the liver and intestinal mucosa. Its anti-inflammatory effects involve the inhibition of microparticle shedding from endothelial cells, while its neuroprotective properties are linked to its ability to modulate kynurenic acid pathways.
ln Vitro
In vitro, pantethine (10-1000 μM) inhibits cholesterol synthesis in mouse liver slices. In Vero E6 cells, it reduces cholesterol levels by 35% at 24 hours and 80% at 72 hours at concentrations of 250-1000 μM. Pantethine (100-1000 μM) demonstrates antiviral activity against SARS-CoV-2, reducing infection in Vero E6 and Calu-3a cells in a dose-dependent manner. It also inhibits microparticle release from endothelial cells (HPMECs and HUVECs) at 50-100 μM and stimulates lipolysis in adipose tissue.
ln Vivo
In vivo, pantethine is an orally active lipid-lowering agent. It has been shown to reduce total and LDL cholesterol, though the effects have been modest. It may also improve fatty liver disease. In a mouse model of systemic sclerosis, pantethine prevented disease progression through the inhibition of microparticle shedding. Additionally, in a pantothenate kinase-associated neurodegeneration mouse model, pantethine treatment was effective in recovering the disease phenotype induced by a ketogenic diet.
Enzyme Assay
In vitro enzyme assays for pantethine typically involve measuring its role as a CoA precursor. For example, cholesterol synthesis inhibition can be assessed in mouse liver slices or cultured cells by measuring the incorporation of radiolabeled acetate into sterols. Antiviral activity against SARS-CoV-2 is evaluated by pre-treating cells (e.g., Vero E6) with pantethine for 1 hour, followed by viral infection and co-incubation, with viral load measured by plaque assay or PCR. Microparticle release from endothelial cells can be quantified by flow cytometry after treatment with pantethine.
Cell Assay
For cell-based assays, Vero E6 cells or Calu-3a cells are cultured in appropriate media and treated with pantethine at concentrations ranging from 100-1000 μM. After pre-treatment, cells are infected with SARS-CoV-2, and antiviral efficacy is determined by measuring viral replication. In endothelial cells (HPMECs, HUVECs), pantethine (50-100 μM) is applied for 18 hours, and microparticle release is measured. In mouse liver slices, pantethine (10-1000 μM) is used to assess its effect on cholesterol synthesis. All experiments include appropriate vehicle controls.
Animal Protocol
In vivo, pantethine is typically administered orally to rodents. In a mouse model of systemic sclerosis, pantethine was given orally, and disease progression was monitored by assessing skin fibrosis and other markers. In a pantothenate kinase-associated neurodegeneration mouse model, pantethine was administered to evaluate its effect on reversing the disease phenotype induced by a ketogenic diet. For lipid-lowering studies, pantethine is given orally, and serum cholesterol and triglyceride levels are measured over time.
ADME/Pharmacokinetics
Pantethine (MW 554.72, C₂₂H₄₂N₄O₆S₂) is an orally active compound. It is a natural metabolite and a CoA precursor. The compound is typically stored as a powder at -20°C for long-term stability. Detailed pharmacokinetic parameters such as bioavailability, half-life, and clearance are available from pharmacological literature. It is well-absorbed and widely distributed in the body.
Toxicity/Toxicokinetics
Pantethine is generally well-tolerated at therapeutic doses used as a dietary supplement. Common side effects are mild and may include gastrointestinal disturbances. It has a long history of safe use as a nutritional supplement for lowering cholesterol and triglycerides. The compound is not for human therapeutic use as a drug in most regions but is available as a dietary supplement.
References

[1]. Pantethine stimulates lipolysis in adipose tissue and inhibits cholesterol and fatty acid synthesis in liver and intestinal mucosa in the normolipidemic rat. Environ Toxicol Pharmacol. 1998 Aug 4;6(1):59-66.

[2]. Potential antiviral effects of pantethine against SARS-CoV-2. Sci Rep. 2023 Feb 8;13(1):2237.

[3]. Effect of Pantethine on Ovarian Tumor Progression and Choline Metabolism. Front Oncol. 2016 Nov 16;6:244.

[4]. Natural Molecules and Neuroprotection: Kynurenic Acid, Pantethine and α-Lipoic Acid. Int J Mol Sci. 2021 Jan 2;22(1):403.

[5]. Pantethine Prevents Murine Systemic Sclerosis Through the Inhibition of Microparticle Shedding. Arthritis Rheumatol. 2015 Jul;67(7):1881-90.

[6]. Pantethine treatment is effective in recovering the disease phenotype induced by ketogenic diet in a pantothenate kinase-associated neurodegeneration mouse model. Brain. 2014 Jan;137(Pt 1):57-68.

Additional Infomation
Pantothenic acid ethylamine is an organic disulfide composed of two pantothenic acid molecules bridged by an amide bond and a cysteine disulfide bond. It is both a nutritional supplement and a coenzyme. Its function is closely related to pantothenic acid. Pantothenic acid ethylamine is a natural compound synthesized in the body from pantothenic acid (vitamin B5) through the addition of cysteine. It consists of a dimer formed by two pantothenic acid ethylamine molecules linked by a disulfide bond and serves as an intermediate in the synthesis of coenzyme A. Coenzyme A, as a cofactor, plays a crucial role in lipid and carbohydrate metabolism, including fatty acid oxidation, carbohydrate metabolism, pyruvate degradation, and amino acid catabolism. Pantothenic acid ethylamine can be used as a dietary supplement to lower blood cholesterol and triglyceride levels.
Pantethine is a dietary supplement and a research compound with a wide range of biological activities. It is not a clinically approved drug for the treatment of any specific disease but is used as an adjunctive therapy for hyperlipidemia. It is commercially available from various chemical suppliers for research purposes only. Its mechanism involves acting as a CoA precursor, thereby modulating lipid metabolism and exerting anti-inflammatory and neuroprotective effects.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H42N4O8S2
Molecular Weight
554.71
Exact Mass
554.244
CAS #
16816-67-4
PubChem CID
452306
Appearance
White to off-white solid powder
Density
1.277g/cm3
Boiling Point
987.2ºC at 760mmHg
Flash Point
550.8ºC
Vapour Pressure
0mmHg at 25°C
Index of Refraction
1.56
Source
Endogenously produced metabolite
LogP
-2.2
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
19
Heavy Atom Count
36
Complexity
652
Defined Atom Stereocenter Count
2
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
InChi Key
DJWYOLJPSHDSAL-ROUUACIJSA-N
InChi Code
InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1
Chemical Name
(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Synonyms
Lipodel; LBF disulfide; Pantethine
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
H2O : ≥ 100 mg/mL (~180.27 mM)
DMSO : ≥ 100 mg/mL (~180.27 mM)
Ethanol : ~100 mg/mL (~180.27 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.51 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (4.51 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (4.51 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


Solubility in Formulation 4: 100 mg/mL (180.27 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.8027 mL 9.0137 mL 18.0274 mL
5 mM 0.3605 mL 1.8027 mL 3.6055 mL
10 mM 0.1803 mL 0.9014 mL 1.8027 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.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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