| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Phosphopantotenoylcysteine (PPC) synthetase; pantothenate kinase (PanK).
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| ln Vitro |
HOPan inhibits phosphopantotenoylcysteine synthetase activity, the enzyme responsible for the conversion of phosphopantothenate to phosphopantotenoylcysteine in the CoA biosynthesis pathway. As a pantothenate analog, it competes with natural substrates and disrupts CoA biosynthesis. It causes a significant decrease in CoA levels in isolated hepatocytes and HeLa cells, demonstrating its efficacy as a CoA level modulator.
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| ln Vivo |
In vivo studies show that HOPan (100 μg/g/day) was lethal in mice fed a diet not supplemented with any pantothenate (Pan). This indicates that CoA depletion is critical for survival when exogenous pantothenate is unavailable. Hopantenic acid has a unique spectrum of pharmacological effects including nootropic, anticonvulsant, and mild activating properties, in the absence of addiction, hyperstimulation, or withdrawal syndrome.
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| Enzyme Assay |
PPC synthetase activity is measured using a coupled enzyme assay or radiometric assay. The enzyme is incubated with substrates (phosphopantothenate and cysteine) and ATP, and the formation of phosphopantotenoylcysteine is quantified. For inhibition studies, HOPan is added at various concentrations and the IC₅₀ value is calculated. Alternatively, CoA levels in cell lysates are measured using a commercial CoA assay kit. The compound's effect on CoA biosynthesis is assessed by incubating cells or enzyme preparations with HOPan and measuring CoA production.
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| Cell Assay |
HeLa cells or primary hepatocytes are cultured in appropriate medium. Cells are treated with HOPan at various concentrations for specified time periods. CoA levels are measured in cell lysates using enzymatic or HPLC-based assays. For cytotoxicity assessment, cell viability is measured using MTT or similar assays. The decrease in CoA levels upon HOPan treatment indicates inhibition of the CoA biosynthesis pathway.
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| Animal Protocol |
In vivo studies are conducted in mice fed a diet with or without pantothenate supplementation. HOPan is administered at doses such as 100 μg/g/day. Animals are monitored for survival, body weight, and general health. CoA levels in tissues (e.g., liver) are measured post-mortem. The lethality observed in mice not supplemented with pantothenate demonstrates the compound's ability to deplete CoA to critical levels in vivo.
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| ADME/Pharmacokinetics |
HOPan is soluble in water (100 mg/mL). It is stable at pH 5-6 and has a specific rotation [α]D20 of +23.8°. The pKa is 4.52 at 25°C. As a pantothenate analog, it is expected to be absorbed and distributed similarly to pantothenic acid. The compound is primarily used as a research tool for studying CoA metabolism. It should be stored as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
The LD₅₀ of hopantenic acid in mice is 850 mg/kg (male) and 954 mg/kg (female) via intraperitoneal administration. In rats, the LD₅₀ is 1575 mg/kg (male) and 1458 mg/kg (female) via intraperitoneal administration. HOPan (100 μg/g/day) was lethal in mice fed a diet not supplemented with pantothenate. Standard laboratory safety practices should be followed when handling this compound.
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| References |
[1]. Mostert KJ, et al. The Coenzyme A Level Modulator Hopantenate (HoPan) Inhibits Phosphopantotenoylcysteine Synthetase Activity. ACS Chem Biol. 2021 Nov 19;16(11):2401-2414.
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| Additional Infomation |
Patchouli acid is an oxygen- and nitrogen-containing organic compound whose function is related to γ-amino acids. Patchouli acid is a central nervous system depressant. It possesses a unique pharmacological spectrum (nootropic, anticonvulsant, mild activating) and does not exhibit addictive, hyperstimulatory, or withdrawal syndrome characteristics.
HOPan is a valuable research tool for studying CoA biosynthesis and metabolism. CoA is an essential cofactor in numerous metabolic pathways, including fatty acid oxidation, carbohydrate metabolism, and amino acid catabolism. By inhibiting PPC synthetase and depleting CoA levels, HOPan allows researchers to investigate the role of CoA in cellular metabolism and energy homeostasis. Hopantenic acid (pantogam) is used clinically in some countries as a nootropic and anticonvulsant agent. The compound is for research use only in most settings. |
| Molecular Formula |
C10H19NO5
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|---|---|
| Molecular Weight |
233.26
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| Exact Mass |
233.126
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| CAS # |
18679-90-8
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| Related CAS # |
17097-76-6(CALCIUM SALT)
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| PubChem CID |
28281
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| Appearance |
Colorless to light yellow oil
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| Density |
1.23g/cm3
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| Boiling Point |
556ºC at 760mmHg
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| Flash Point |
290.1ºC
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| Vapour Pressure |
1.11E-14mmHg at 25°C
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| Index of Refraction |
1.508
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| LogP |
-0.7
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
16
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| Complexity |
252
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(CO)([C@@H](O)C(NCCCC(O)=O)=O)C
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| InChi Key |
SBBDHANTMHIRGW-QMMMGPOBSA-N
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| InChi Code |
InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1
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| Chemical Name |
4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoic acid
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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: 100 mg/mL (428.71 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 | 4.2871 mL | 21.4353 mL | 42.8706 mL | |
| 5 mM | 0.8574 mL | 4.2871 mL | 8.5741 mL | |
| 10 mM | 0.4287 mL | 2.1435 mL | 4.2871 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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