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| Targets |
Dithiodipropionic acid primarily functions as a chemical linker and nanoaggregate former rather than targeting a specific biological receptor. It interacts with CPUL1 (a thioredoxin reductase inhibitor) to form nanoaggregates. The compound can also form self-assembled monolayers on gold surfaces through its thiol groups. In biological contexts, it does not have a defined protein target but serves as a tool for drug delivery and surface modification.
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| ln Vitro |
CPUL1-DA NAs, with a molar ratio of 1:2, exhibit modest cytotoxicity against normal L02 cells and inhibit the viability of HUH7 hepatoma cells with an IC50 value of 4.3 μM[1]. CPUL1-DA NAs (2.5-10 μM, 6 h) have a faster cellular absorption ability to transfer CUL1 into cells than free CUL1 and can be more efficiently enriched in the mitochondria of HUH7 cells[1]. HUH7 cells exposed to CPUL1-DA NAs (2.5-10 μM, 12 h) develop superoxide buildup and damage to their mitochondrial membranes[1].
Dithiodipropionic acid demonstrates in vitro activity through its ability to form nanoaggregates with CPUL1. CPUL1-DA NAs (molar ratio 1:2) exhibit modest cytotoxicity against normal L02 cells and inhibit the viability of HUH7 hepatoma cells with an IC50 value of 4.3 μM. These nanoaggregates (2.5-10 μM, 6 h) have faster cellular absorption than free CPUL1 and are more efficiently enriched in mitochondria of HUH7 cells. HUH7 cells exposed to CPUL1-DA NAs (2.5-10 μM, 12 h) develop superoxide buildup and damage to mitochondrial membranes. The nanoaggregates produce more reactive oxygen species (ROS) than free CPUL1 and induce apoptosis. |
| ln Vivo |
No detailed in vivo activity data has been published for dithiodipropionic acid alone. Its biological activity is primarily demonstrated through its ability to form nanoaggregates with CPUL1, which show improved anti-tumor efficacy against cancer cells. The compound is a research chemical used for surface modification and drug delivery applications rather than as a therapeutic agent with direct in vivo effects. Further studies would be needed to evaluate its in vivo efficacy.
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| Enzyme Assay |
The compound's ability to form self-assembled monolayers can be assessed using electrochemical methods. In a typical experiment, a polycrystalline gold electrode is immersed in a solution of dithiodipropionic acid, allowing the formation of a self-assembled monolayer through gold-thiol interactions. The modified electrode can then be characterized using cyclic voltammetry, electrochemical impedance spectroscopy, or surface plasmon resonance. For nanoaggregate formation, the compound is mixed with CPUL1 at specific molar ratios and characterized by dynamic light scattering or transmission electron microscopy.
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| Cell Assay |
Cellular activity of dithiodipropionic acid is assessed through its nanoaggregate formulations with CPUL1. HUH7 hepatoma cells and normal L02 cells are treated with CPUL1-DA NAs at varying concentrations. Cell viability is measured using MTT assays to determine IC50 values. Cellular uptake is assessed by measuring CPUL1 accumulation in cells and mitochondria. ROS production is measured using fluorescent probes such as DCFH-DA. Mitochondrial membrane potential is assessed using JC-1 dye. Apoptosis is quantified using annexin V/propidium iodide staining.
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| Animal Protocol |
No detailed in vivo animal model data has been published for dithiodipropionic acid. The compound is a research chemical used primarily for in vitro studies and surface chemistry applications. If in vivo studies were to be conducted, they would likely involve mouse xenograft models of hepatocellular carcinoma to evaluate the anti-tumor efficacy of CPUL1-DA nanoaggregates. The compound's stability and biocompatibility would need to be assessed before such studies.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for dithiodipropionic acid. The compound has a molecular weight of 210.26 g/mol, a LogP of 1.38, and is soluble in DMSO. It has a density of 1.5±0.1 g/cm³, a boiling point of 431.1±30.0 °C, and a melting point of 155-158 °C. The compound is stable at room temperature for short periods during shipping and can be stored as a powder at -20°C for up to 3 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for dithiodipropionic acid alone. In studies using CPUL1-DA nanoaggregates, the formulation exhibited modest cytotoxicity against normal L02 cells. The compound is intended for research use only and is not for human therapeutic use. Comprehensive toxicology studies, including acute and chronic toxicity testing, would be required to evaluate the safety profile of dithiodipropionic acid for potential therapeutic development.
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| References | |
| Additional Infomation |
According to reports, plants in the Albizia genus contain 3,3'-dithiodipropionic acid, and relevant data are available for reference.
Dithiodipropionic acid (3,3'-dithiodipropionic acid, CAS# 1119-62-6) is a disulfide-containing dicarboxylic acid with the molecular formula C6H10O4S2 and molecular weight 210.26 g/mol. It is a white to off-white solid powder with a melting point of 155-158 °C. The compound is primarily used as a research tool for forming self-assembled monolayers on gold surfaces and for preparing nanoaggregates with CPUL1 for anti-cancer studies. It has been reported in Albizia julibrissin. The compound is available with ≥98% purity. |
| Molecular Formula |
C6H10O4S2
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|---|---|
| Molecular Weight |
210.26
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| Exact Mass |
210.002
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| CAS # |
1119-62-6
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| PubChem CID |
95116
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
431.1±30.0 °C at 760 mmHg
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| Melting Point |
155-158 °C(lit.)
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| Flash Point |
214.5±24.6 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.592
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| LogP |
1.38
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
12
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| Complexity |
142
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YCLSOMLVSHPPFV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
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| Chemical Name |
3-(2-carboxyethyldisulfanyl)propanoic 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) |
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 | 4.7560 mL | 23.7801 mL | 47.5602 mL | |
| 5 mM | 0.9512 mL | 4.7560 mL | 9.5120 mL | |
| 10 mM | 0.4756 mL | 2.3780 mL | 4.7560 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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