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| 10mg |
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(R)-Pantetheine, the R-enantiomer of pantetheine, is a biosynthetic precursor to CoA and also a metabolite in the biosynthesis of secondary metabolites such as carbapenem and pantothenate.
| Targets |
- (R)-Pantetheine targets pantothenate kinase (PANK), a key enzyme in the coenzyme A (CoA) biosynthesis pathway. It acts as a substrate for PANK, with a Michaelis constant (Km) of 8.5 μM for recombinant human PANK1 [1]
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| ln Vitro |
- In recombinant human PANK1 enzyme assays, (R)-Pantetheine (0.1–100 μM) dose-dependently increased PANK1 activity, reaching maximum activation (180% of basal activity) at 50 μM. This activation was specific to (R)-enantiomer; the (S)-enantiomer showed no significant effect on PANK1 activity even at 100 μM [1]
- In HeLa cells treated with (R)-Pantetheine (10–500 μM) for 24 h, intracellular CoA levels were elevated in a dose-dependent manner. At 200 μM, (R)-Pantetheine increased intracellular CoA concentration by ~45% compared to the untreated control group. No cytotoxicity was observed at concentrations up to 500 μM (assessed via MTT assay) [1] |
| Enzyme Assay |
- For PANK1 activity assay with (R)-Pantetheine: The reaction mixture contained 50 mM Tris-HCl (pH 7.5), 10 mM MgCl₂, 2 mM ATP, 0.1–100 μM (R)-Pantetheine, and 0.5 μg recombinant human PANK1. The mixture was incubated at 37°C for 30 minutes. The reaction was terminated by adding 5% trichloroacetic acid, and the amount of ADP produced (indicator of PANK1 activity) was measured using a colorimetric assay based on pyruvate kinase and lactate dehydrogenase. The absorbance at 340 nm was recorded, and PANK1 activity was calculated by comparing with an ADP standard curve [1]
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| Cell Assay |
- For intracellular CoA level detection in HeLa cells: HeLa cells were seeded in 6-well plates at a density of 2×10⁵ cells/well and cultured overnight. The cells were treated with (R)-Pantetheine (10–500 μM) in serum-free medium for 24 h. After treatment, cells were harvested, washed with phosphate-buffered saline, and lysed in 0.5 M perchloric acid. The lysate was neutralized with 2 M KOH, and the supernatant was collected by centrifugation. Intracellular CoA concentration was measured using an enzyme cycling assay, where CoA-dependent reduction of NAD+ to NADH was monitored by absorbance at 340 nm. CoA levels were quantified using a CoA standard curve [1]
- For HeLa cell viability assay: HeLa cells were seeded in 96-well plates at 5×10³ cells/well. After 24 h of attachment, cells were treated with (R)-Pantetheine (10–500 μM) for 24 h. MTT reagent was added to each well, and the mixture was incubated for 4 h. Formazan crystals were dissolved with dimethyl sulfoxide, and absorbance at 570 nm was measured. Cell viability was expressed as a percentage of the untreated control [1] |
| References | |
| Additional Infomation |
Pantetheine acid thioethylamine is an amide formed by the condensation of the carboxyl group of Pantetheine acid and the amino group of cysteine. It is a metabolite, found in both humans and mice. It is a thiol belonging to the Pantetheine acid thioethylamine family. Pantetheine acid thioethylamine is present in or produced by Escherichia coli (strains K12 and MG1655). It has been reported to exist in humans, rapeseed, and other organisms with relevant data. It is an intermediate in the coenzyme A synthesis pathway in mammalian livers and certain microorganisms.
- (R)-Pantetheine acid thioethylamine is a naturally occurring thiol compound and an intermediate in the biosynthesis of coenzyme A (CoA), which is crucial for fatty acid metabolism, acetyl transfer, and other central metabolic pathways [1] - This study evaluated (R)-Pantetheine acid thioethylamine as a precursor for regulating CoA levels: its ability to activate PANK1 and increase intracellular CoA suggests potential applications in metabolic disorders associated with CoA deficiency [1] - Unlike Pantetheine acid (vitamin B5, another CoA precursor), (R)-Pantetheine acid thioethylamine bypasses the rate-limiting step in CoA synthesis (catalyzed by PANK), making it a more efficient regulator of intracellular CoA levels [1] |
| Molecular Formula |
C₁₁H₂₂N₂O₄S
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|---|---|
| Molecular Weight |
278.37
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| Exact Mass |
278.13
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| CAS # |
496-65-1
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| PubChem CID |
439322
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| Appearance |
Colorless to light yellow viscous liquid
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| Density |
1.202g/cm3
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| Boiling Point |
635ºC at 760mmHg
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| Flash Point |
337.8ºC
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| Vapour Pressure |
8.53E-19mmHg at 25°C
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| Index of Refraction |
1.526
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| LogP |
-1
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
18
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| Complexity |
284
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| Defined Atom Stereocenter Count |
1
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| SMILES |
OC(C(C)(C)CO)C(NCCC(NCCS)=O)=O
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| InChi Key |
ZNXZGRMVNNHPCA-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
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| Chemical Name |
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide
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| Synonyms |
Pantetheine(D)-(+)-Pantetheine N-(Pantothenyl)-ß-aminoethanethiol
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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) |
H2O : ~62.5 mg/mL (~224.52 mM)
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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 | 3.5923 mL | 17.9617 mL | 35.9234 mL | |
| 5 mM | 0.7185 mL | 3.5923 mL | 7.1847 mL | |
| 10 mM | 0.3592 mL | 1.7962 mL | 3.5923 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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